SCHEMBL8858645

SCHEMBL8858645

CCCN(C(=O)OCc1ccccc1C(=COC)C(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.41
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34

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
SCHEMBL8858643 1.00 TRPM8 (0.41) TRPM8TP53SMN1; SMN2CHRM2CHRM1
SCHEMBL7662323 0.91 TRPM8 (0.39) TRPM8TP53SMN1; SMN2CHRM2CHRM1
SCHEMBL7662318 0.91 TRPM8 (0.39) TRPM8TP53SMN1; SMN2CHRM2CHRM1
SCHEMBL7653811 0.75 CHRNB2 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL7653817 0.75 CHRNB2 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL8403381 0.74 IDO1 (0.42)
SCHEMBL8403377 0.74 IDO1 (0.42)
SCHEMBL3084308 0.74 ALDH1A1 (0.50) TRPM8TP53SMN1; SMN2CHRM2CHRM1
SCHEMBL8442964 0.74 SMN1; SMN2 (0.43) TRPM8TP53SMN1; SMN2CHRM2CHRM1
SCHEMBL8639304 0.73 KDM4E (0.47) TP53SMN1; SMN2ALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606251-B1 FUNGICIDES ZENECA LTD (GB) 1997-01-08 EP disclosed
EP-0711751-A1 Process for the preparation of intermediates for oxime ether- or 2-phenyl-3-methyl propenoate-fungicides ZENECA LIMITED (GB) 1996-05-15 EP disclosed
WO-1993007116-A1 FUNGICIDES ZENECA LIMITED (GB) 1993-04-15 WO disclosed