SCHEMBL9658985

SCHEMBL9658985

COC(=O)c1ccccc1SCC(=O)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.72
POLB P06746 1/20 0.72
CDC25B P30305 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.49
PKM P14618 1/20 0.49
EGFR P00533 1/20 0.47
CCNB2 O95067 1/20 0.47
CCNE2 O96020 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCND1 P24385 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.46
RAB9A P51151 3/20 0.46
TSHR P16473 1/20 0.46
CASP3 P42574 1/20 0.46

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
SCHEMBL9661237 0.84 HSD17B10 (1.00) HSD17B10POLBL3MBTL1PKMALDH1A1
SCHEMBL9661093 0.82 L3MBTL1 (0.71) HSD17B10POLBCDC25BL3MBTL1PKM
SCHEMBL9660330 0.81 HSD17B10 (0.77) HSD17B10POLBL3MBTL1PKMALDH1A1
SCHEMBL8628655 0.80 POLB (0.65) HSD17B10POLBL3MBTL1PKMEGFR
SCHEMBL13869746 0.79 EGFR (0.49) HSD17B10POLBL3MBTL1PKMEGFR
SCHEMBL9661138 0.79 CDC25B (0.47) HSD17B10POLBCDC25BL3MBTL1PKM
SCHEMBL3820448 0.78 ALDH1A1 (0.74) POLBL3MBTL1ALDH1A1MAPK1RAB9A
SCHEMBL10443880 0.77 HSD17B10 (0.61) HSD17B10POLBL3MBTL1PKMEGFR
SCHEMBL9661198 0.77 HSD17B10 (0.74) HSD17B10POLBL3MBTL1ALDH1A1RAB9A
SCHEMBL3079300 0.76 HSD17B10 (0.68) HSD17B10POLBALDH1A1MAPK1RAB9A

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-5118680-A COMBATING ENDOPARASITES WITH 3-HYDROXYBENZOTHIOPHENES BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed