SCHEMBL8750465

SCHEMBL8750465

CCc1ccc(C(C)OC(C)c2ccc(CC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
IDO1 P14902 2/20 0.39
CYP2A6 P11509 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CA2 P00918 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9069719 0.84 TDP1 (0.48) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL13662055 0.82 TSHR (0.47) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL9242079 0.82 TSHR (0.47) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL13462882 0.82 TSHR (0.47) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL13824595 0.79 TSHR (0.44) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL500563 0.77 TSHR (0.56) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL139408 0.77 L3MBTL1 (0.56) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL27807617 0.76 AKR1C3 (0.42) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL2491929 0.74 TSHR (0.58) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL2362805 0.74 IDO1 (0.44) MAPK1L3MBTL1IDO1ALDH1A1LMNA

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 6 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-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-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 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