SCHEMBL9360245

SCHEMBL9360245

CCCCCOCC(COCCCCC)OC(=O)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.54
▸ CNR2 P34972 7/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ TSHR P16473 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ UTS2R Q9UKP6 1/20 0.46
▸ CDC25B P30305 1/20 0.45
▸ ADRB2 P07550 2/20 0.44
▸ ADRB1 P08588 2/20 0.44
▸ ADRB3 P13945 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43

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
SCHEMBL17307938 0.85 CNR1 (0.44) CNR1CNR2CYP2C9TSHRTP53
SCHEMBL17307936 0.85 CNR1 (0.44) CNR1CNR2CYP2C9TSHRTP53
SCHEMBL2117237 0.81 TSHR (0.73) CNR1CNR2CYP2C9TSHRTP53
SCHEMBL30295637 0.80 ALDH1A1 (0.74) CNR1CNR2CYP2C9TSHRTP53
SCHEMBL27729056 0.80 ALDH1A1 (0.74) CNR1CNR2CYP2C9TSHRTP53
SCHEMBL27721668 0.80 ALDH1A1 (0.74) CNR1CNR2CYP2C9TSHRTP53
SCHEMBL4407176 0.80 ALDH1A1 (0.74) CNR1CNR2CYP2C9TSHRTP53
SCHEMBL20100237 0.80 ALDH1A1 (0.74) CNR1CNR2CYP2C9TSHRTP53
SCHEMBL9288049 0.80 ALDH1A1 (0.74) CNR1CNR2CYP2C9TSHRTP53
SCHEMBL8665013 0.80 ALDH1A1 (0.74) CNR1CNR2CYP2C9TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6009493-A — — None — — JP disclosed
JP-H069493-A TRIGLYCERIDE ESTER DERIVATIVE OF FATTY ACID AND METHOD FOR MEASURING ACTIVITY OF LIPASE USING THE SAME SNOW BRAND MILK PROD CO LTD 1994-01-18 — — JP disclosed
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