SCHEMBL10490491

SCHEMBL10490491

CCCCCCCCCCCCCC=CCONc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.54
SOAT1 P35610 1/20 0.54
EPHX2 P34913 5/20 0.45
FAAH O00519 2/20 0.45
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.43
PSMB11 A5LHX3 2/20 0.40
PSMA7 O14818 2/20 0.40
PSMB1 P20618 2/20 0.40
PSMA1 P25786 2/20 0.40
PSMA2 P25787 2/20 0.40
PSMA3 P25788 2/20 0.40
PSMA4 P25789 2/20 0.40
PSMB8 P28062 2/20 0.40
PSMB9 P28065 2/20 0.40
PSMA5 P28066 2/20 0.40
PSMB4 P28070 2/20 0.40
PSMB6 P28072 2/20 0.40
PSMB5 P28074 2/20 0.40
PSMB10 P40306 2/20 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
SCHEMBL9363493 0.78 SOAT2 (0.50) SOAT2SOAT1EPHX2FAAHCNR1
SCHEMBL7593121 0.76 LTA4H (0.46) FAAHCNR1ALDH1A1LMNACYP3A4
SCHEMBL18049455 0.76 LTA4H (0.46) FAAHCNR1ALDH1A1LMNACYP3A4
Benzene SCHEMBL27363600 0.76 LTA4H (0.46) FAAHCNR1ALDH1A1LMNACYP3A4
SCHEMBL2803168 0.76 LTA4H (0.46) FAAHCNR1ALDH1A1LMNACYP3A4
SCHEMBL905673 0.76 LTA4H (0.46) FAAHCNR1ALDH1A1LMNACYP3A4
SCHEMBL9169265 0.76 LTA4H (0.46) FAAHCNR1ALDH1A1LMNACYP3A4
SCHEMBL11672538 0.76 LTA4H (0.46) FAAHCNR1ALDH1A1LMNACYP3A4
SCHEMBL3523840 0.76 LTA4H (0.46) FAAHCNR1ALDH1A1LMNACYP3A4
SCHEMBL8389397 0.76 LTA4H (0.46) FAAHCNR1ALDH1A1LMNACYP3A4

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-4804747-A NON-LINEAR OPTICAL ELEMENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-14 US disclosed
EP-0293093-A2 Azo Compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-11-30 EP disclosed
EP-0220042-A2 Azo compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-29 EP disclosed