SCHEMBL11302183

SCHEMBL11302183

CCc1cc(CC)cc(C(=O)N(CC(=O)OC(C)(C)OC)C(C)C)c1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ PDE6D O43924 1/20 0.30
▸ ABCB1 P08183 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL11302675 0.94 SLC7A5 (0.30) SLC7A5
SCHEMBL11302470 0.88 SLC7A5 (0.40) SLC7A5ALDH1A1SMN1; SMN2
SCHEMBL11304084 0.84 PDE6D (0.35) SLC7A5KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11303539 0.83 SLC7A5 (0.34) SLC7A5ABCB1
SCHEMBL11295370 0.78 KDM4E (0.30) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL11300475 0.74 HDAC8 (0.34) ALDH1A1
SCHEMBL11296224 0.74 HDAC8 (0.33) —
SCHEMBL11304110 0.73 PSMB5 (0.31) —
SCHEMBL11301132 0.72 ABCB1 (0.41) SLC7A5KDM4EALDH1A1HSD17B10ABCB1
SCHEMBL11296832 0.72 SLC7A5 (0.44) SLC7A5KDM4EALDH1A1SMN1; 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
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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