SCHEMBL7717040

SCHEMBL7717040

COC(=O)c1cccc(CCl)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.44
POLB P06746 3/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CFTR P13569 1/20 0.43
KDM4E B2RXH2 4/20 0.43
NPBWR1 P48145 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
GLA P06280 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL4326103 0.85 ALDH1A1 (0.49) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL12636442 0.83 ALDH1A1 (0.47) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL9480301 0.83 ALDH1A1 (0.51) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL30452267 0.83 ALDH1A1 (0.51) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL2802347 0.82 ALDH1A1 (0.62) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL7147927 0.82 ALDH1A1 (0.54) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL9678436 0.82 ALDH1A1 (0.50) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL3511611 0.82 TSHR (0.57) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL10401566 0.81 ALDH1A1 (0.43) ALDH1A1LMNATSHRPOLBKMT2A
SCHEMBL7715910 0.81 ALDH1A1 (0.49) ALDH1A1LMNATSHRPOLBKMT2A

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