SCHEMBL11714017

SCHEMBL11714017

COC(=O)CC/C=C/C1CSC(c2ccccc2)N1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.43
▸ FFAR2 O15552 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HCRTR2 O43614 1/20 0.34
▸ MCL1 Q07820 1/20 0.34

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
SCHEMBL11714025 1.00 AKT1 (0.43) AKT1FFAR2ALDH1A1POLBMEN1
SCHEMBL11716080 0.92 FFAR2 (0.40) FFAR2ALDH1A1POLBMEN1KMT2A
SCHEMBL11716085 0.92 FFAR2 (0.40) FFAR2ALDH1A1POLBMEN1KMT2A
SCHEMBL13101404 0.83 KLK7 (0.37) FFAR2ALDH1A1POLBMEN1KMT2A
SCHEMBL3075365 0.83 KLK7 (0.37) FFAR2ALDH1A1POLBMEN1KMT2A
SCHEMBL13091640 0.83 KLK7 (0.37) FFAR2ALDH1A1POLBMEN1KMT2A
SCHEMBL3075369 0.83 KLK7 (0.37) FFAR2ALDH1A1POLBMEN1KMT2A
SCHEMBL11718433 0.82 MEN1 (0.46) FFAR2ALDH1A1POLBMEN1KMT2A
SCHEMBL11718442 0.82 MEN1 (0.46) FFAR2ALDH1A1POLBMEN1KMT2A
SCHEMBL13101397 0.80 GAA (0.37) FFAR2ALDH1A1POLBMEN1KMT2A

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-4009172-A 2,3,3A,6,7,7A-Hexahydro-thieno[3,2-b]pyridin-(4H)5-ones HOFFMANN-LA ROCHE INC. (US) 1977-02-22 — — US disclosed
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