SCHEMBL9820637

SCHEMBL9820637

CCCCCCC(C)OC(=O)C(C)=Cc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.47
ALDH1A1 P00352 2/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
MIF P14174 1/20 0.39
HSD17B3 P37058 5/20 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
SCHEMBL10611748 1.00 FAAH (0.47) FAAHALDH1A1CNR1CNR2KDM4E
SCHEMBL9820633 1.00 FAAH (0.47) FAAHALDH1A1CNR1CNR2KDM4E
SCHEMBL9820481 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2AMAPTABCG2
SCHEMBL10613245 0.89 ABCG2 (0.42) FAAHALDH1A1KDM4EKMT2AMAPT
SCHEMBL9820503 0.89 ABCG2 (0.42) FAAHALDH1A1KDM4EKMT2AMAPT
SCHEMBL10615169 0.83 PLA2G4A (0.44) ABCG2
SCHEMBL9820517 0.83 PLA2G4A (0.44) ABCG2
SCHEMBL10610895 0.81 MAPT (0.42) FAAHALDH1A1KDM4EKMT2AMAPT
SCHEMBL9820459 0.81 MAPT (0.42) FAAHALDH1A1KDM4EKMT2AMAPT
SCHEMBL10611552 0.81 ALDH1A1 (0.48) FAAHALDH1A1CNR1CNR2KDM4E

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