SCHEMBL7716765

SCHEMBL7716765

COC(=O)C(C)c1cccc(CCl)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.56
PTGS2 P35354 1/20 0.56
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MT-CO2 P00403 1/20 0.43
TLR7 Q9NYK1 1/20 0.41
PPARG P37231 1/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2917051 0.84 PTGS1 (0.56) PTGS1PTGS2KMT2AMEN1MT-CO2
SCHEMBL28499999 0.84 PTGS2 (0.56) PTGS1PTGS2KMT2AMEN1MT-CO2
SCHEMBL27557372 0.83 PTGS1 (0.40) PTGS1PTGS2KMT2AMEN1HPGD
SCHEMBL9651355 0.83 PTGS1 (0.62) PTGS1PTGS2KMT2AMEN1MT-CO2
SCHEMBL28370252 0.83 PTGS1 (0.55) PTGS1PTGS2KMT2AMEN1MT-CO2
SCHEMBL7716661 0.82 KMT2A (0.46) KMT2AMEN1PPARGMAPTL3MBTL1
SCHEMBL1345676 0.80 CXCR1 (0.47) PTGS1PTGS2MT-CO2HPGDTSHR
SCHEMBL7619765 0.80 CXCR1 (0.47) PTGS1PTGS2MT-CO2HPGDTSHR
SCHEMBL8590234 0.80 PTGS1 (0.51) PTGS1PTGS2KMT2AMEN1MT-CO2
SCHEMBL16364505 0.79 PTGS1 (0.60) PTGS1PTGS2KMT2AMEN1MT-CO2

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