SCHEMBL11299265

SCHEMBL11299265

CCCc1cc(C)cc(C(=O)N(CC(=O)OCCOC)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ F2 P00734 5/20 0.35
▸ SLC7A5 Q01650 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ PSMB5 P28074 5/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ REN P00797 1/20 0.31

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
SCHEMBL11298187 0.89 TAS1R3 (0.40) MEN1KMT2ATDP1F2POLB
SCHEMBL11303530 0.85 F2 (0.38) ABCB1TDP1F2SLC7A5TAS1R3
SCHEMBL11299421 0.85 F2 (0.37) ABCB1MEN1KMT2ATDP1F2
SCHEMBL11303227 0.84 PSMB5 (0.37) PSMB5
SCHEMBL11296820 0.84 PPARG (0.41) PSMB5REN
SCHEMBL11301132 0.83 ABCB1 (0.41) ABCB1F2SLC7A5PSMB5ALDH1A1
SCHEMBL11296572 0.82 PSMB5 (0.35) PSMB5ALDH1A1
SCHEMBL11302453 0.82 HDAC8 (0.37) ABCB1MEN1KMT2AF2POLB
SCHEMBL11294051 0.81 SLC7A5 (0.38) ABCB1F2SLC7A5PSMB5HPGD
SCHEMBL11294159 0.81 PSMB5 (0.32) TAS1R3TAS1R1PSMB5ALDH1A1

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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