SCHEMBL11718542

SCHEMBL11718542

COC(=O)N1C(C(=O)O)CSC1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.60
▸ GAA P10253 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ FFAR2 O15552 7/20 0.59
▸ HSD17B10 Q99714 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HTT P42858 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ ACE P12821 2/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL11718548 1.00 POLB (0.60) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL6185805 0.85 HSD17B10 (0.54) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL14024616 0.85 HSD17B10 (0.54) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL13091656 0.85 HSD17B10 (0.54) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL3072035 0.85 HSD17B10 (0.54) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL23910562 0.84 POLB (0.72) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL5859631 0.84 POLB (0.72) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL4350452 0.84 POLB (0.72) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL3831329 0.81 HSD17B10 (0.59) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL3831328 0.81 HSD17B10 (0.59) POLBGAARAB9AFFAR2HSD17B10

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 2 patents. 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
US-3957794-A 3-Amino-2,3,3a,6,7,7a-hexahydro-thieno[3,2-b]pyridin-(4H)5-one HOFFMANN-LA ROCHE INC. (US) 1976-05-18 — — US disclosed
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