SCHEMBL8750481

SCHEMBL8750481

CCc1ccc(C(C)Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
ATM Q13315 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TP53 P04637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CYP2A6 P11509 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL147032 0.82 TSHR (0.67) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL11270656 0.81 TSHR (0.59) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL14396739 0.81 L3MBTL1 (0.43) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL2865480 0.81 ADRB2 (0.41) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL18242410 0.80 L3MBTL1 (0.52) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL4574471 0.80 TSHR (0.41) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL139408 0.79 L3MBTL1 (0.56) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL500563 0.79 TSHR (0.56) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL23055189 0.78 HRH3 (0.46) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL2406237 0.78 PTGS1 (0.53) TSHRAKR1C3AKR1C2LMNACYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0470516-B1 Process for producing 3,5-di(alpha-methylbenzyl)salicylic acid derivative, and use of polyvalent-metal-modified product thereof as color developer MITSUI TOATSU CHEMICALS (JP) 1996-03-06 EP disclosed
EP-0268878-B1 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS (JP) 1996-01-31 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
EP-0361040-B1 Odorless multi-valent metal modified products of salicylic acid copolymers, production processes thereof, and use thereof as color-developing agents for pressure-sensitive copying paper sheets MITSUI TOATSU CHEMICALS (JP) 1994-12-07 EP disclosed
US-5326739-A Process for producing 3,5-di(α-methylbenzyl)salicylic acid derivative, and use of polyvalent-metal-modified product thereof as color developer MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-05 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
EP-0470516-A2 Process for producing 3,5-di(alpha-methylbenzyl)salicylic acid derivative, and use of polyvalent-metal-modified product thereof as color developer MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-02-12 EP disclosed
US-5028581-A Odorless multi-valent metal modified products of salicyclic acid copolymers, production processes thereof, and use thereof as color-developing agents for pressure-sensitive copying paper sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-07-02 US disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
EP-0361040-A2 Odorless multi-valent metal modified products of salicylic acid copolymers, production processes thereof, and use thereof as color-developing agents for pressure-sensitive copying paper sheets MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-04 EP disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 EP disclosed