SCHEMBL3356086

SCHEMBL3356086

CCOC(=O)C1CC(NC(=O)Nc2ccccc2Br)c2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
NPC1 O15118 2/20 0.38
TRPV1 Q8NER1 4/20 0.37
POLB P06746 1/20 0.36
HTT P42858 4/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
ANPEP P15144 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL13459159 0.89 L3MBTL1 (0.39) L3MBTL1TSHRNPSR1NPC1POLB
SCHEMBL3356075 0.81 MEN1 (0.43) TRPV1POLBHTTKMT2AMEN1
SCHEMBL3354668 0.81 TRPV1 (0.60) TRPV1
SCHEMBL13459509 0.80 ALDH1A1 (0.36) L3MBTL1TSHRNPSR1NPC1TRPV1
SCHEMBL13459130 0.79 POLB (0.44) L3MBTL1TSHRNPSR1POLBKMT2A
SCHEMBL3386118 0.77 ALDH1A1 (0.40) L3MBTL1TSHRNPSR1POLBKMT2A
SCHEMBL3355152 0.73 ALDH1A1 (0.43) L3MBTL1TSHRNPSR1POLBKMT2A
Hydrochloric Acid SCHEMBL25390853 0.72 ALDH1A1 (0.42) L3MBTL1TSHRNPSR1POLBKMT2A
SCHEMBL21624825 0.70 POLB (0.47) L3MBTL1TSHRNPC1POLBTDP1
SCHEMBL23387224 0.70 POLB (0.47) L3MBTL1TSHRNPC1POLBTDP1

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-2010023512-A1 NOVEL VANILLOID RECEPTOR MODULATORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MATRIX LABORATORIES LTD. (IN) 2010-03-04 WO claimed
WO-2010023512-A1 NOVEL VANILLOID RECEPTOR MODULATORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MATRIX LABORATORIES LTD. (IN) 2010-03-04 WO disclosed