SCHEMBL4448874

SCHEMBL4448874

CCc1ccc(Oc2ccc(OC(N)=O)cc2F)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
LMNA P02545 5/20 0.43
HTT P42858 5/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL4447575 0.86
SCHEMBL3214638 0.82 MAPK1 (0.53) LDHALMNAHTTNPC1SMN1; SMN2
SCHEMBL3209730 0.79 LMNA (0.49) LMNAHTTSMN1; SMN2KMT2AALDH1A1
SCHEMBL3198917 0.78 CALM1 (0.45) LDHAKDM4EATM
SCHEMBL3209344 0.78 CYP19A1 (0.50) KDM4EATMMAPTGAA
SCHEMBL27936118 0.78 SMN1; SMN2 (0.54) LMNAHTTNPC1SMN1; SMN2KMT2A
SCHEMBL28033799 0.77 TNKS2 (0.46) LMNAHTTKDM4EALDH1A1
SCHEMBL17876786 0.77 BRD4 (0.44) LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL3201528 0.76 ALDH1A1 (0.44) KMT2AKDM4EATMALDH1A1MAPT
SCHEMBL13486187 0.75 ALDH1A1 (0.52) LMNAHTTNPC1SMN1; SMN2KMT2A

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
CN-101500999-B Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA S A S 2014-01-15 CN disclosed
EP-2010495-A2 NEW HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF Mutabilis SA (FR) 2009-01-07 EP disclosed
WO-2007135562-A2 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS S.A. (FR) 2007-11-29 WO disclosed