SCHEMBL9432049

SCHEMBL9432049

COC(=O)CSc1cc(C=O)cc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ RXFP1 Q9HBX9 5/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PRNP P04156 5/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL943064 0.72 ALDH1A1 (0.71) HSD17B10ALDH1A1RXFP1MAPK1HPGD
SCHEMBL9432046 0.69 ERN1 (0.39) POLBALDH1A1MAPK1HPGDNPSR1
SCHEMBL5278158 0.68 ANPEP (0.64) HSD17B10POLBALDH1A1RXFP1MAPK1
SCHEMBL28702281 0.68 ALDH1A1 (0.63) HSD17B10POLBALDH1A1RXFP1HPGD
SCHEMBL3780489 0.68 ALDH1A1 (0.56) POLBALDH1A1HPGDL3MBTL1GAA
SCHEMBL8144828 0.67 HSD17B10 (0.66) HSD17B10POLBALDH1A1RXFP1MAPK1
SCHEMBL5963190 0.67 ALDH1A1 (0.52) ALDH1A1HPGDALOX15NPSR1TSHR
SCHEMBL29678864 0.67 ALDH1A1 (0.52) ALDH1A1HPGDALOX15NPSR1TSHR
SCHEMBL9999239 0.67 STAT3 (0.67) HSD17B10POLBMAPTCYP1A2CYP3A4
SCHEMBL11544945 0.66 HSD17B10 (0.64) HSD17B10POLBALDH1A1RXFP1MAPK1

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-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 — — US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 — — EP disclosed
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