SCHEMBL9652630

SCHEMBL9652630

CCCCCCCCCCCCCCc1cccc(OCC(COP(O)OCC(C)[N+](C)(C)C)OC(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 8/20 0.48
▸ PPARG P37231 5/20 0.48
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ CYP2D6 P10635 3/20 0.38
▸ PTGIR P43119 1/20 0.38
▸ SMPD1 P17405 1/20 0.37

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
SCHEMBL10806823 0.89 PPARA (0.47) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL10804840 0.89 PPARA (0.47) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL10808654 0.88 PPARA (0.46) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL10811983 0.88 PPARA (0.46) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL10805747 0.88 PPARA (0.45) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL10808531 0.88 PPARA (0.45) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL10809673 0.85 PPARA (0.47) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL10807017 0.85 PPARA (0.47) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL10810673 0.85 PPARA (0.46) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL10813119 0.85 PPARA (0.46) PPARAPPARGCNR1CNR2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4894367-A CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1990-01-16 — — US claimed
US-5126291-A Non-steroidal antiinflammatory agents AMERICAN CYANAMID COMPANY (US) 1992-06-30 — — US disclosed
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
US-4762942-A AMINO SUBSTITUTED, INNER SALTS AMERICAN CYANAMID CO. (US) 1988-08-09 — — US disclosed
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