SCHEMBL7715833

SCHEMBL7715833

O=C(O)c1cccc(CSc2cccc(OCc3ccc4ccccc4n3)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.72
GPBAR1 Q8TDU6 4/20 0.72
CYSLTR2 Q9NS75 3/20 0.57
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
THPO P40225 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55

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
SCHEMBL7452653 0.96 CYSLTR1 (0.67) CYSLTR1GPBAR1CYSLTR2KDM4EMEN1
SCHEMBL7718911 0.93 CYSLTR1 (0.67) CYSLTR1GPBAR1CYSLTR2KDM4EMEN1
SCHEMBL7718938 0.92 CYSLTR1 (0.69) CYSLTR1GPBAR1CYSLTR2KDM4EMEN1
SCHEMBL7458780 0.91 CYSLTR1 (0.67) CYSLTR1GPBAR1CYSLTR2ALOX5MRGPRX4
SCHEMBL9023173 0.90 CYSLTR1 (0.69) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7452656 0.89 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2ALOX5
Acetamide SCHEMBL10532734 0.86 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7010090 0.86 CYSLTR1 (0.84) CYSLTR1GPBAR1CYSLTR2ALOX5MRGPRX4
SCHEMBL422355 0.84 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2KDM4EMEN1
SCHEMBL30444017 0.84 CYSLTR1 (1.00) CYSLTR1GPBAR1CYSLTR2KDM4EMEN1

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 3 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
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