SCHEMBL9768064

SCHEMBL9768064

[CH2]C(COc1cccc(CCCCCCCCCCCCCC)c1)OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 8/20 0.60
▸ PPARG P37231 5/20 0.60
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ CYP2D6 P10635 4/20 0.46
▸ PTGIR P43119 1/20 0.45
▸ SMPD1 P17405 1/20 0.45

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
SCHEMBL9651352 0.80 PPARA (0.54) PPARAPPARGCNR1CNR2
SCHEMBL14445676 0.78 PPARA (0.66) PPARAPPARGCNR1CNR2
SCHEMBL12040875 0.78 PPARA (0.62) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL1517301 0.78 PPARA (0.66) PPARAPPARGCNR1CNR2
SCHEMBL5253613 0.77 PPARA (0.68) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL1573259 0.77 PPARA (0.68) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL9011843 0.77 PPARA (0.68) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL3509568 0.77 PPARA (0.68) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL30631323 0.76 PPARA (0.63) PPARAPPARG
SCHEMBL27865972 0.76 PPARA (0.63) PPARAPPARG

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-4981989-A Antihypertensive phosphate derivatives and intermediates thereof AMERICAN CYANAMID COMPANY (US) 1991-01-01 — — US disclosed
US-4894367-A CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1990-01-16 — — US disclosed
US-4883816-A SULFONYL DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1989-11-28 — — US disclosed
Send feedback