SCHEMBL9828136

SCHEMBL9828136

O=C(O)c1ccc(CCc2ccc(S(=O)(=O)Cc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYSLTR1 Q9Y271 7/20 0.52
GPBAR1 Q8TDU6 3/20 0.52
SLC16A3 O15427 1/20 0.47
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RCE1 Q9Y256 1/20 0.43

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
SCHEMBL9031829 0.87 GPBAR1 (0.51) TSHRHSD17B10CYSLTR1GPBAR1SLC16A3
SCHEMBL9031836 0.87 GPBAR1 (0.51) TSHRHSD17B10CYSLTR1GPBAR1SLC16A3
SCHEMBL7007534 0.87 GPBAR1 (0.67) CYSLTR1GPBAR1FFAR1AKR1B1
SCHEMBL3271805 0.84 GPBAR1 (0.62) CYSLTR1GPBAR1FFAR1AKR1B1HDAC1
SCHEMBL28246862 0.81 NPC1 (0.50) CYSLTR1GPBAR1CYSLTR2ALDH1A1
SCHEMBL10422378 0.79 GPBAR1 (0.56) CYSLTR1GPBAR1FFAR1AKR1B1
SCHEMBL28330248 0.77 FAAH (0.43) CYSLTR1CYSLTR2
SCHEMBL9829523 0.77 GPBAR1 (0.51) CYSLTR1GPBAR1FFAR1AKR1B1HDAC1
SCHEMBL9828175 0.77 GPBAR1 (0.53) CYSLTR1GPBAR1FFAR1AKR1B1HDAC1
SCHEMBL28330143 0.76 KDM4E (0.54) HSD17B10ALDH1A1RCE1

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