SCHEMBL28854530

SCHEMBL28854530

CCC(Oc1ccc(C)cc1)C(=O)NCc1cncs1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ POLB P06746 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SLC6A3 Q01959 4/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ PARP15 Q460N3 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL28194650 0.82 HPGD (0.59) TRPM8SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL28194605 0.78 POLB (0.57) TRPM8SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL28254369 0.73 HPGD (0.57) TRPM8SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13947082 0.72 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL28277037 0.72 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AMAPTPOLB
SCHEMBL28278345 0.71 HPGD (0.54) TRPM8SMN1; SMN2RAB9AMAPTHPGD
SCHEMBL28195170 0.69 HPGD (0.58) TRPM8SMN1; SMN2RAB9AMAPTPOLB
SCHEMBL28254374 0.69 HPGD (0.55) TRPM8SMN1; SMN2NPC1RAB9APOLB
SCHEMBL12220660 0.69 SMN1; SMN2 (0.49) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL8935859 0.68 SMN1; SMN2 (0.70) SMN1; SMN2

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
CN-108853105-A Cosmetic composition, composite medicine and food compositions 西姆莱斯股份公司 2018-11-23 — — CN disclosed
CN-105025870-B Composition comprising a metal oxide and a metal oxide 西姆莱斯股份公司 2018-02-02 — — CN disclosed
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