SCHEMBL29135490

SCHEMBL29135490

CCCCc1ccc(CO)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SKP2 Q13309 1/20 0.42
▸ HPGD P15428 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TYR P14679 1/20 0.40
▸ TNNC1 P63316 5/20 0.38
▸ SGPL1 O95470 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ GPR183 P32249 1/20 0.38
▸ CERS2 Q96G23 1/20 0.38
▸ S1PR3 Q99500 1/20 0.38
▸ S1PR5 Q9H228 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
SCHEMBL18199330 0.82 TYR (0.48) SKP2HPGDNPC1RAB9AMAPK1
SCHEMBL3693248 0.81 PTGS2 (0.44) ALDH1A1HSD17B10TNNC1SGPL1S1PR4
SCHEMBL11709829 0.81 ACE2 (0.42) HPGDMAPK1HTTNPSR1ALDH1A1
SCHEMBL29612324 0.81 HTT (0.52) SKP2HPGDNPC1RAB9AMAPK1
SCHEMBL5166701 0.81 NPC1 (0.56) SKP2HPGDNPC1RAB9AMAPK1
SCHEMBL673963 0.81 HTT (0.52) SKP2HPGDNPC1RAB9AMAPK1
SCHEMBL20657270 0.80 TYR (0.47) SKP2HPGDNPC1RAB9AMAPK1
SCHEMBL29746343 0.80 SKP2 (0.37) SKP2HPGDNPC1RAB9AMAPK1
Methane SCHEMBL27924017 0.79 HTT (0.50) SKP2HPGDNPC1RAB9AMAPK1
SCHEMBL5492788 0.79 PTGS2 (0.48) ALDH1A1HSD17B10TNNC1SGPL1S1PR4

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-117355567-A Use of at least one sulfur-containing amino acid for stabilizing thermoplastic recycling material, stabilized thermoplastic recycling material, stabilizer composition, masterbatch and molding compound or molded part 弗劳恩霍夫应用研究促进协会 2024-01-05 — — CN disclosed
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