SCHEMBL8563287

SCHEMBL8563287

CSc1cc(OCc2ccccc2)c(C(F)(F)F)cc1Oc1ncccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
MAPK14 Q16539 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.38
CTSS P25774 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
ALOX5AP P20292 1/20 0.37
LMNA P02545 1/20 0.37
PPIA P62937 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL8565675 0.88 LTA4H (0.44) LTA4HMAPK14MRGPRX4CTSSRXRA
SCHEMBL8565558 0.84 MRGPRX4 (0.40) LTA4HMAPK14MRGPRX4CTSSRXRA
SCHEMBL8563160 0.82 MRGPRX4 (0.40) LTA4HMAPK14MRGPRX4CTSSRXRA
SCHEMBL8559274 0.79 ALDH1A1 (0.36) ALOX5APLMNAKMT2AMEN1CYP1A2
SCHEMBL20756090 0.78 RXRA (0.54) LTA4HMAPK14MRGPRX4CTSSRXRA
SCHEMBL8557138 0.77 MRGPRX4 (0.44) LTA4HMAPK14MRGPRX4CTSSRXRA
SCHEMBL8559246 0.73 MRGPRX4 (0.41) LTA4HMAPK14MRGPRX4CTSSRXRA
SCHEMBL8558640 0.72 MAOB (0.42) MRGPRX4RXRARXRBRXRGLMNA
SCHEMBL18893896 0.70 MRGPRX4 (0.49) MAPK14MRGPRX4CTSSRXRARXRB
SCHEMBL29937257 0.70 MRGPRX4 (0.49) MAPK14MRGPRX4CTSSRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726128-A Benzyloxypyrimidine derivative, processes for producing the same and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-03-10 US disclosed