SCHEMBL7716658

SCHEMBL7716658

CCOC(=O)C(CC)C(CP(=O)(O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 2/20 0.43
SRC P12931 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.41
PIN1 Q13526 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL820208 0.78 KMT2A (0.63) MMP8MEN1KMT2ANPC1MAPT
SCHEMBL820803 0.78 KMT2A (0.63) MMP8MEN1KMT2ANPC1MAPT
SCHEMBL7717100 0.78 MMP8 (0.47) MMP8MEN1KMT2APOLBTSHR
SCHEMBL2623070 0.76 MMP8 (0.43) MMP8GAAMEN1KMT2ANPC1
SCHEMBL1409033 0.75 MMP8 (0.51) MMP8MEN1KMT2ANPC1POLB
SCHEMBL7374272 0.73 MMP8 (0.53) MMP8GAAMEN1KMT2ANPC1
SCHEMBL7716655 0.73 ALDH1A1 (0.50) MMP8GAAMEN1KMT2ANPC1
SCHEMBL15216694 0.72 MMP8 (0.51) MMP8GAAMEN1KMT2ANPC1
SCHEMBL28808844 0.72 MMP8 (0.48) MMP8GAAMEN1KMT2ANPC1
SCHEMBL7716778 0.72 CYP2D6 (0.39) GAAPOLBTSHRALDH1A1HSD17B10

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