SCHEMBL11296832

SCHEMBL11296832

CCc1cccc(C(=O)N(CC(=O)OC)C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ CYP4F2 P78329 2/20 0.43
▸ CYP4A11 Q02928 2/20 0.43
▸ KAT6A Q92794 2/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ MEP1B Q16820 1/20 0.40
▸ WDR5 P61964 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PARP1 P09874 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
SCHEMBL11304084 0.86 PDE6D (0.35) SLC7A5LOXL2PPARGSMN1; SMN2LMNA
SCHEMBL11302470 0.86 SLC7A5 (0.40) SLC7A5LOXL2PPARGCYP4F2CYP4A11
SCHEMBL11400773 0.82 KAT6A (0.45) KAT6ARAB9ASMN1; SMN2NPC1LMNA
SCHEMBL11296820 0.78 PPARG (0.41) PPARGCYP4F2CYP4A11KAT6A
SCHEMBL11299074 0.78 PPARG (0.41) PPARGCYP4F2CYP4A11KAT6AMEP1B
SCHEMBL11294344 0.76 CYP4F2 (0.43) PPARGCYP4F2CYP4A11RAB9ASMN1; SMN2
SCHEMBL1692133 0.76 KMT2A (0.47) SLC7A5LOXL2PPARGCYP4F2CYP4A11
SCHEMBL11298083 0.75 CYP4F2 (0.40) PPARGCYP4F2CYP4A11RAB9ASMN1; SMN2
SCHEMBL11296873 0.75 TDP1 (0.52) RAB9ASMN1; SMN2NPC1LMNAMEN1
SCHEMBL11399741 0.74 TSHR (0.52) PPARGWDR5RAB9ASMN1; SMN2NPC1

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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