SCHEMBL11294051

SCHEMBL11294051

CCCCc1cc(C)cc(C(=O)N(CC(=O)OC)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.38
▸ ABCB1 P08183 1/20 0.34
▸ F2 P00734 2/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PDE6D O43924 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ GNRHR P30968 1/20 0.33

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
SCHEMBL11295496 0.85 PRKCA (0.31) SLC7A5F2
SCHEMBL11301530 0.84 PPARA (0.38) PSMB5NPC1HPGDMAPK1HTT
SCHEMBL11299265 0.81 ABCB1 (0.38) SLC7A5ABCB1F2PSMB5HPGD
SCHEMBL11301132 0.80 ABCB1 (0.41) SLC7A5ABCB1F2PSMB5
SCHEMBL11297792 0.80 PSMB5 (0.35) PSMB5
SCHEMBL11304084 0.79 PDE6D (0.35) SLC7A5PSMB5HPGDNPSR1PDE6D
SCHEMBL11301861 0.78 GPR84 (0.33) PSMB5HPGD
SCHEMBL11299421 0.77 F2 (0.37) SLC7A5ABCB1F2HPGDNPSR1
SCHEMBL11303227 0.76 PSMB5 (0.37) PSMB5
SCHEMBL11339619 0.76 CNR2 (0.33) PSMB5NPC1HPGDRAB9A

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
US-4261732-A Alkyl and alkoxyalkyl N-3-alkyl and N-3,5-dialkylbenzoyl-N-isopropylaminoacetate herbicides PPG INDUSTRIES, INC. (US) 1981-04-14 — — US disclosed
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