SCHEMBL9750481

SCHEMBL9750481

CCCCOCc1ccc(CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 4/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
PLA2G4B P0C869 1/20 0.39
ESR1 P03372 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
LTA4H P09960 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
SCHEMBL647523 0.93 L3MBTL1 (0.49) L3MBTL1TDP1ALDH1A1LMNATSHR
SCHEMBL19827229 0.92 TDP1 (0.46) L3MBTL1TDP1ALDH1A1LMNAMAPT
SCHEMBL196575 0.87 NAAA (0.47) L3MBTL1TDP1CYP3A4PLA2G4BCYP1A2
SCHEMBL9073374 0.85 AGXT (0.48) L3MBTL1TDP1HPGDPLA2G4BKCNH2
SCHEMBL1839898 0.85 LTA4H (0.55) L3MBTL1TDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL9517762 0.83 TDP1 (0.42) L3MBTL1TDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL11800474 0.83 L3MBTL1 (0.42) L3MBTL1TDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL197178 0.83 KCNH2 (0.50) L3MBTL1TDP1ALDH1A1SMN1; SMN2HPGD
SCHEMBL509255 0.83 IDO1 (0.47) L3MBTL1TDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL509685 0.83 L3MBTL1 (0.42) L3MBTL1TDP1ALDH1A1TSHRMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030187-A1 POLYMER, ION EXCHANGE MEMBRANE AND STRUCTURAL ENHANCED MEMBRANE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-02-01 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-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