SCHEMBL18240669

SCHEMBL18240669

CC(=CC(c1ccc(C)cc1)c1cccc(Cl)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.43
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 1/20 0.40
ACP3 P15309 1/20 0.39
CRHR1 P34998 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 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
SCHEMBL18240667 1.00 TRPM8 (0.43) TRPM8S1PR1S1PR3S1PR5ACP3
SCHEMBL18240616 0.92 ACP3 (0.41) TRPM8S1PR1S1PR3ACP3MEN1
SCHEMBL18240618 0.92 ACP3 (0.41) TRPM8S1PR1S1PR3ACP3MEN1
SCHEMBL18240782 0.90 TRPM8 (0.43) TRPM8S1PR1S1PR3ACP3MEN1
SCHEMBL18240783 0.90 TRPM8 (0.43) TRPM8S1PR1S1PR3ACP3MEN1
SCHEMBL18240602 0.89 ACP3 (0.41) ACP3ALDH1A1LMNA
SCHEMBL18240605 0.89 ACP3 (0.41) ACP3ALDH1A1LMNA
SCHEMBL18240604 0.89 ACP3 (0.41) ACP3ALDH1A1LMNA
SCHEMBL18240691 0.88 SLC6A9 (0.42) TRPM8ACP3OPRM1OPRD1OPRK1
SCHEMBL18240693 0.88 SLC6A9 (0.42) TRPM8ACP3OPRM1OPRD1OPRK1

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-2906970-B1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2016-11-23 EP claimed