SCHEMBL7718923

SCHEMBL7718923

CCCCC(C(=O)OCC)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.50
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LAP3 P28838 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SMPD1 P17405 3/20 0.39
LPAR3 Q9UBY5 2/20 0.38
LPAR2 Q9HBW0 1/20 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
SCHEMBL4268938 0.93 FDPS (0.53) FDPSLAP3SMPD1LPAR3LPAR2
SCHEMBL27811200 0.93 FDPS (0.53) FDPSLAP3SMPD1LPAR3LPAR2
SCHEMBL17053099 0.93 FDPS (0.53) FDPSLAP3SMPD1LPAR3LPAR2
SCHEMBL27811198 0.93 FDPS (0.53) FDPSLAP3SMPD1LPAR3LPAR2
SCHEMBL16938094 0.89 FDPS (0.45) FDPSPOLBCYP2D6CYP2C9CYP2C19
SCHEMBL3672437 0.88 POLB (0.56) FDPSPOLBCYP2D6CYP2C9CYP2C19
SCHEMBL9486473 0.84 FDPS (0.47) FDPSLAP3SMPD1LPAR3LPAR2
SCHEMBL27725191 0.83 FDPS (0.48) FDPSLAP3CA1CA2SMPD1
SCHEMBL3675752 0.81 POLB (0.43) FDPSPOLBCYP2D6CYP2C9CYP2C19
SCHEMBL9485820 0.80 FDPS (0.52) FDPSLAP3SMPD1LPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed