SCHEMBL7716653

SCHEMBL7716653

COC(=O)CC(C)c1ccccc1CCl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.39
HTT P42858 4/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LPAR1 Q92633 1/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 3/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL17749159 0.81 ADRB2 (0.45) KCNA5MAPTRAB9AALDH1A1LMNA
SCHEMBL17754986 0.79 HTT (0.51) KCNA5HTTHPGDMAPTALDH1A1
SCHEMBL12290669 0.79 NR3C2 (0.42) KCNA5HTTHPGDMAPTRAB9A
SCHEMBL7112192 0.78 CYP2C19 (0.56) KCNA5HTTMAPTRAB9ACYP2C9
SCHEMBL26455960 0.78 MEN1 (0.48) KCNA5MAPTRAB9ACYP2C9CYP2C19
SCHEMBL1345678 0.78 ALDH1A1 (0.42) HTTHPGDMAPTALDH1A1SMN1; SMN2
SCHEMBL11111246 0.74 KCNA5 (0.51) KCNA5HTTHPGDMAPTRAB9A
SCHEMBL28739302 0.73 GABRA1 (0.55) HTTHPGDMAPTRAB9ATSHR
SCHEMBL2212572 0.73 KDM4E (0.47) MAPTTSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL9909362 0.73 HPGD (0.56) KCNA5HPGDMAPTRAB9ACYP2C19

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