SCHEMBL7808136

SCHEMBL7808136

CCSc1cc2ccc(COc3ccc4c(c3)C(=O)c3ccccc3CO4)nc2cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 2/20 0.41
ALOX5 P09917 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL7801392 0.85 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL7813413 0.85 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL7806693 0.82 LTB4R (0.41)
SCHEMBL7801525 0.81 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL7806823 0.77 TBXA2R (0.40)
SCHEMBL7806678 0.75 MAOA (0.44) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL4052937 0.75 MAPK14 (0.40) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL7813524 0.73 CYSLTR1 (0.39) ALDH1A1MAPTSMN1; SMN2KMT2AALOX5
SCHEMBL7808151 0.73 CYSLTR1 (0.38) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL7808099 0.73 MAOB (0.42) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E

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