SCHEMBL4738997

SCHEMBL4738997

O=C(/C=C/c1ccc(O)c(Cl)c1Cl)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAOB P27338 3/20 0.50
HSP90AA1 P07900 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
CAPN1 P07384 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TYR P14679 1/20 0.48
DPP4 P27487 1/20 0.45
CYP1B1 Q16678 2/20 0.45

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
SCHEMBL4739000 1.00 MAPT (0.51) MAPTMAPK1ALDH1A1MAOBHSP90AA1
SCHEMBL4737429 0.84 GABRA3 (0.68) MAPTALDH1A1MAOBRAB9AGABRA3
SCHEMBL4737428 0.84 GABRA3 (0.68) MAPTALDH1A1MAOBRAB9AGABRA3
SCHEMBL4736824 0.81 GABRA3 (0.47) MAPTMAPK1MAOBHSP90AA1CAPN1
SCHEMBL4736818 0.81 GABRA3 (0.47) MAPTMAPK1MAOBHSP90AA1CAPN1
SCHEMBL4785916 0.79 DPP4 (0.55) MAPTMAPK1MAOBHSP90AA1RAB9A
SCHEMBL4785911 0.79 DPP4 (0.55) MAPTMAPK1MAOBHSP90AA1RAB9A
SCHEMBL4741100 0.79 PPARG (0.46) MAPTALDH1A1MAOBHSP90AA1NPC1
SCHEMBL4740248 0.79 PPARG (0.46) MAPTALDH1A1MAOBHSP90AA1NPC1
SCHEMBL4741105 0.76 MAPT (0.56) MAPTMAPK1ALDH1A1MAOBNPC1

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
WO-2008087365-A2 SUBSTITUTED 1, 3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed
WO-2008087365-A2 SUBSTITUTED 1, 3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed