SCHEMBL9965406

SCHEMBL9965406

Cc1cc(Cl)cc(Cc2ccccc2NC(=O)C2CCN(C(=O)C(C)C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.51
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 2/20 0.45
F10 P00742 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 2/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL14639698 0.88 TDP1 (0.46) TRPV1TP53GAAMAPTPOLB
SCHEMBL9965458 0.84 TP53 (0.49) TRPV1TP53GAAMAPTPOLB
SCHEMBL14639717 0.80 GAA (0.49) TRPV1TP53GAAMAPTPOLB
SCHEMBL9965428 0.75 GAA (0.53) TRPV1TP53GAAMAPTPOLB
SCHEMBL9965439 0.72 KMT2A (0.53) TRPV1TP53GAAMAPTPOLB
SCHEMBL14639656 0.70 PTPN1 (0.49) TRPV1GAAPOLBF10LMNA
SCHEMBL28218333 0.70 TRPV1 (0.65) TRPV1GAAMAPTTDP1KMT2A
SCHEMBL9965381 0.70 POLB (0.53) TRPV1MAPTPOLBTDP1EPHX2
SCHEMBL14639571 0.67 TSHR (0.42) MAPTTSHRL3MBTL1KMT2A
SCHEMBL9965408 0.67 GAA (0.49) GAAPOLBTDP1TSHRL3MBTL1

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
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed