SCHEMBL8442964

SCHEMBL8442964

CCCN(C(=O)OCc1cccc(C)c1OC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
TP53 P04637 1/20 0.42
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
TSHR P16473 2/20 0.36
GLA P06280 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TACR3 P29371 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
SCHEMBL8442795 0.83 CHRNB2 (0.45) SMN1; SMN2L3MBTL1ALDH1A1NPC1LMNA
SCHEMBL9711647 0.77 SMN1; SMN2 (0.58) SMN1; SMN2TRPM8TP53CHRM2CHRM1
SCHEMBL3084308 0.76 ALDH1A1 (0.50) SMN1; SMN2TRPM8TP53CHRM2CHRM1
SCHEMBL716643 0.76 TSHR (0.43) SMN1; SMN2L3MBTL1ALDH1A1NPC1LMNA
SCHEMBL8858645 0.74 TRPM8 (0.41) SMN1; SMN2TRPM8TP53CHRM2CHRM1
SCHEMBL8858643 0.74 TRPM8 (0.41) SMN1; SMN2TRPM8TP53CHRM2CHRM1
SCHEMBL11432478 0.73 TP53 (0.51) SMN1; SMN2TRPM8TP53CHRM2CHRM1
SCHEMBL28230483 0.73 TP53 (0.54) SMN1; SMN2TRPM8TP53CHRM2CHRM1
SCHEMBL5615999 0.72 NPC1 (0.50) SMN1; SMN2TRPM8TP53CHRM2CHRM1
SCHEMBL7662318 0.72 TRPM8 (0.39) SMN1; SMN2TRPM8TP53CHRM2CHRM1

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
US-5939563-A FUNGICIDES ZENECA LIMITED (GB) 1999-08-17 US disclosed
US-5777162-A Intermediates for the preparation of fungicides ZENECA LIMITED (GB) 1998-07-07 US disclosed