SCHEMBL7970722

SCHEMBL7970722

CCC(c1ccccc1)N(O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CTSK P43235 3/20 0.39
CTSS P25774 1/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
ALOX5 P09917 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
SYK P43405 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RIPK1 Q13546 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
KLK7 P49862 1/20 0.36

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
SCHEMBL17776389 0.85 CHRNB2 (0.44) TRPM8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16914053 0.80 ALOX5 (0.57) ALOX5
SCHEMBL1952126 0.79 TRPM8 (0.49) TRPM8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20917440 0.78 CTSK (0.41) CTSKCTSSLMNAALOX5L3MBTL1
SCHEMBL16448300 0.76 CTSK (0.36) TRPM8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17780016 0.76 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CTSK
SCHEMBL16338975 0.76 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CTSK
SCHEMBL8001138 0.76 MAPT (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CTSK
SCHEMBL29913609 0.75 TRPM8 (0.39) TRPM8CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12810112 0.75 ALDH1A1 (0.38) TRPM8CHRNB2CHRNB4CHRNA3CHRNA4

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
US-6291683-B1 AS ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-09-18 US disclosed