SCHEMBL9635560

SCHEMBL9635560

O=C(O)c1cc2cccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)c2oc1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 12/20 0.57
GPBAR1 Q8TDU6 2/20 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
KMT2A Q03164 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
SCHEMBL9637034 0.92 CYSLTR1 (0.57) CYSLTR1GPBAR1KDM4EMEN1NPC1
SCHEMBL6089807 0.86 CYSLTR1 (0.66) CYSLTR1GPBAR1KDM4EMEN1NPC1
SCHEMBL9636885 0.83 CYSLTR1 (0.53) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL27934288 0.83 CA12 (0.66) MEN1ALDH1A1LMNATSHRMAPK1
SCHEMBL6088435 0.80 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6087522 0.80 CYSLTR1 (0.60) CYSLTR1GPBAR1KDM4EMEN1NPC1
SCHEMBL7716691 0.80 CYSLTR1 (0.88) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL6089691 0.79 CYSLTR1 (0.60) CYSLTR1GPBAR1KDM4EMEN1NPC1
SCHEMBL6088393 0.79 CYSLTR1 (0.60) CYSLTR1GPBAR1KDM4EMEN1NPC1
SCHEMBL9637031 0.79 CYSLTR1 (0.48) CYSLTR1GPBAR1CYSLTR2

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-5082849-A Antiinflammatory agents or antiallergens AVENTIS PHARMACEUTICALS INC. 1992-01-21 US disclosed
EP-0434827-A4 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1992-01-08 EP disclosed
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed
EP-0434827-A1 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-07-03 EP disclosed
WO-1991001123-A2 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-02-07 WO disclosed