SCHEMBL13770784

SCHEMBL13770784

O=C(Cc1ccc(O)c(O)c1)NC1CC2(CCC2)Oc2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.43
ERCC1 P07992 3/20 0.43
ERCC4 Q92889 3/20 0.43
TRPV3 Q8NET8 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
BACE1 P56817 2/20 0.39
CTSD P07339 1/20 0.39
POLB P06746 1/20 0.38
EPHX2 P34913 1/20 0.38
IDO1 P14902 1/20 0.38
LMNA P02545 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL3434715 0.87 SIGMAR1 (0.46) TRPV1TRPV3BACE1POLBLMNA
SCHEMBL3406592 0.86 CNR1 (0.44) TRPV1TRPV3CNR1CNR2BACE1
SCHEMBL3431268 0.85 TRPV3 (0.49) TRPV1TRPV3BACE1CTSDEPHX2
SCHEMBL619006 0.80 CNR1 (0.50) TRPV1TRPV3CNR1CNR2BACE1
SCHEMBL3805039 0.79 TRPV3 (0.47) TRPV1TRPV3CNR1CNR2BACE1
SCHEMBL13065082 0.79 TRPV3 (0.40) TRPV1TRPV3CNR1CNR2BACE1
SCHEMBL13064916 0.79 TRPV3 (0.40) TRPV1TRPV3CNR1CNR2BACE1
SCHEMBL3802222 0.78 CNR1 (0.44) TRPV1TRPV3CNR1CNR2BACE1
SCHEMBL3798843 0.78 CNR1 (0.42) TRPV1TRPV3CNR1CNR2BACE1
SCHEMBL3799654 0.78 TRPV3 (0.47) TRPV1TRPV3CNR1CNR2BACE1

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
WO-2009084034-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-07-09 WO disclosed