SCHEMBL28254369

SCHEMBL28254369

CCCC(Oc1ccc(C)cc1)C(=O)NCc1cccs1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.57
▸ TRPM8 Q7Z2W7 3/20 0.57
▸ RAB9A P51151 3/20 0.53
▸ TSHR P16473 4/20 0.49
▸ POLB P06746 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ GAA P10253 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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 0.91 HPGD (0.59) HPGDTRPM8RAB9ATSHRPOLB
SCHEMBL28254374 0.84 HPGD (0.55) HPGDTRPM8RAB9ATSHRPOLB
SCHEMBL28195169 0.83 HPGD (0.62) HPGDTRPM8RAB9ATSHRPOLB
SCHEMBL28195170 0.82 HPGD (0.58) HPGDTRPM8RAB9ATSHRPOLB
SCHEMBL28277037 0.81 SMN1; SMN2 (0.59) HPGDRAB9ATSHRPOLBSMN1; SMN2
SCHEMBL28278345 0.80 HPGD (0.54) HPGDTRPM8RAB9ATSHRSMN1; SMN2
SCHEMBL28194606 0.78 HPGD (0.56) HPGDTRPM8RAB9ATSHRPOLB
SCHEMBL10635025 0.76 HPGD (0.55) HPGDTRPM8RAB9ATSHRSMN1; SMN2
SCHEMBL24805790 0.76 MAPT (0.57) HPGDRAB9ATSHRPOLBSMN1; SMN2
SCHEMBL10631746 0.75 HPGD (0.59) HPGDTRPM8RAB9ATSHRSMN1; 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 1 patent. 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
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