SCHEMBL4448923

SCHEMBL4448923

CCc1ccc(Oc2ccc(CC=O)cc2F)c(OCc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.42
ERN1 O75460 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 4/20 0.40
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
SLC2A1 P11166 1/20 0.39
CARM1 Q86X55 1/20 0.39

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
SCHEMBL4747321 0.85 S1PR5 (0.54) S1PR5ERN1LMNAHTTMAPK1
SCHEMBL3212416 0.84 SLC2A1 (0.46) S1PR5ERN1KMT2AMEN1ATM
SCHEMBL3204784 0.83 CYP19A1 (0.44) KMT2AMEN1ATMMAPK1SMN1; SMN2
SCHEMBL3212402 0.81 BRD4 (0.48) S1PR5KMT2AMEN1HTTSMN1; SMN2
SCHEMBL3204885 0.81 MRGPRX4 (0.43) KMT2AMEN1ATMMAPK1SMN1; SMN2
SCHEMBL3196894 0.81 SCN9A (0.44) S1PR5KMT2AMEN1ATMMAPK1
SCHEMBL3188243 0.81 MAPT (0.55) KMT2AMEN1MAPK1ALDH1A1MAPT
SCHEMBL10826146 0.80 SLC2A1 (0.54) KMT2AMEN1ATMLMNAHTT
SCHEMBL3214764 0.80 PTPN1 (0.42) S1PR5LMNAHTTMAPK1SMN1; SMN2
SCHEMBL18331478 0.79 MRGPRX4 (0.47) S1PR5ERN1KMT2AMEN1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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