SCHEMBL9820517

SCHEMBL9820517

CCCCCCCCCCOc1ccc(COc2ccc(C=C(C)C(=O)OC(C)CCCCCC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.44
NR1H4 Q96RI1 1/20 0.42
PLA2G4B P0C869 3/20 0.41
NR5A1 Q13285 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 4/20 0.40
S1PR5 Q9H228 4/20 0.40
CTRC Q99895 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL10615169 1.00 PLA2G4A (0.44) PLA2G4ANR1H4PLA2G4BNR5A1TP53
SCHEMBL10614070 0.86 NPC1 (0.52) PLA2G4APLA2G4BTP53TSHR
SCHEMBL10611733 0.86 NPC1 (0.52) PLA2G4APLA2G4BTP53TSHR
SCHEMBL9820579 0.86 NPC1 (0.52) PLA2G4APLA2G4BTP53TSHR
SCHEMBL10623765 0.86 NPC1 (0.52) PLA2G4APLA2G4BTP53TSHR
SCHEMBL9820637 0.83 FAAH (0.47) ABCG2
SCHEMBL9820633 0.83 FAAH (0.47) ABCG2
SCHEMBL10611748 0.83 FAAH (0.47) ABCG2
SCHEMBL16602456 0.80 TSHR (0.58) PLA2G4APLA2G4BTP53TSHR
SCHEMBL10613245 0.78 ABCG2 (0.42) TSHRABCG2

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
EP-0240184-B1 ALPHA-METHYLCINNAMIC ACID ESTER DERIVATIVE AND LIQUID CRYSTAL COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 1991-08-21 EP disclosed
US-4751018-A DISCOLORATION INHIBITION MITSUBISHI RAYON COMPANY LTD. (JP) 1988-06-14 US disclosed
EP-0240184-A2 Alpha-Methylcinnamic acid ester derivative and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1987-10-07 EP disclosed