SCHEMBL7808151

SCHEMBL7808151

COC(=O)CSc1ccc2c(c1)COc1ccc(OCc3ccc4ccc(Cl)cc4n3)cc1C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PRNP P04156 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALOX5AP P20292 2/20 0.35
PLA2G1B P04054 1/20 0.35

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
SCHEMBL7813524 0.92 CYSLTR1 (0.39) CYSLTR1CYSLTR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL7806678 0.81 MAOA (0.44) CYSLTR1ALDH1A1SMN1; SMN2MAPTMAOA
SCHEMBL7813413 0.81 MAPT (0.52) ALDH1A1SMN1; SMN2MAPTMAOAMAOB
SCHEMBL7808099 0.79 MAOB (0.42) CYSLTR1CYSLTR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL7813573 0.76 CYSLTR1 (0.39) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL7809712 0.75 PDE10A (0.39) CYSLTR1CYSLTR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL7808136 0.73 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTMAOAMAOB
SCHEMBL7801648 0.73 CYSLTR1 (0.36) CYSLTR1CYSLTR2ALOX5AP
SCHEMBL7801525 0.72 MAPT (0.56) CYSLTR1CYSLTR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL9335366 0.70 MAOB (0.54) CYSLTR1ALDH1A1SMN1; SMN2MAOBNPC1

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
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed