SCHEMBL9828175

SCHEMBL9828175

O=C(O)c1ccc(CCc2ccc(SCc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.53
CYSLTR1 Q9Y271 7/20 0.52
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
GFER P55789 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
CYSLTR2 Q9NS75 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PRNP P04156 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL9032817 0.86 GPBAR1 (0.52) GPBAR1CYSLTR1HDAC1HDAC2CYSLTR2
SCHEMBL9032810 0.86 GPBAR1 (0.52) GPBAR1CYSLTR1HDAC1HDAC2CYSLTR2
SCHEMBL7009315 0.86 GPBAR1 (0.69) GPBAR1CYSLTR1FFAR1AKR1B1CYSLTR2
SCHEMBL3271805 0.85 GPBAR1 (0.62) GPBAR1CYSLTR1FFAR1AKR1B1HDAC1
SCHEMBL10546745 0.79 CYSLTR2 (0.50) CYSLTR1CYP1A2CYP2C9CYP2C19CYSLTR2
SCHEMBL11189080 0.78 RXFP1 (0.60) GPBAR1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL9023173 0.77 CYSLTR1 (0.69) GPBAR1CYSLTR1CYSLTR2
SCHEMBL7456253 0.77 CYSLTR1 (0.49) GPBAR1CYSLTR1CYP1A2CYP2C9CYP2C19
SCHEMBL9828136 0.77 TSHR (0.55) GPBAR1CYSLTR1FFAR1AKR1B1HDAC1
SCHEMBL9829523 0.76 GPBAR1 (0.51) GPBAR1CYSLTR1FFAR1AKR1B1HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051427-A Antiinflammatory agents and antiallergens RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-09-24 US disclosed
EP-0395697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-03-13 EP disclosed
EP-0395697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4 RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-11-07 EP disclosed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004303-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed