SCHEMBL9661237

SCHEMBL9661237

COC(=O)CSc1ccccc1C(=O)OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 1.00
POLB P06746 2/20 1.00
KMT2A Q03164 3/20 0.52
HPGD P15428 3/20 0.51
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CRBN Q96SW2 1/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 3/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ATM Q13315 2/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL9660330 0.87 HSD17B10 (0.77) HSD17B10POLBKMT2AHPGDALDH1A1
SCHEMBL9661198 0.85 HSD17B10 (0.74) HSD17B10POLBKMT2AHPGDALDH1A1
SCHEMBL9658985 0.84 HSD17B10 (0.72) HSD17B10POLBKMT2AHPGDALDH1A1
SCHEMBL7776841 0.84 HSD17B10 (0.72) HSD17B10POLBKMT2AHPGDALDH1A1
SCHEMBL11826675 0.83 HSD17B10 (0.70) HSD17B10POLBKMT2AHPGDALDH1A1
SCHEMBL9661031 0.83 HSD17B10 (0.70) HSD17B10POLBKMT2AHPGDALDH1A1
SCHEMBL7364591 0.83 HSD17B10 (0.71) HSD17B10POLBKMT2AHPGDALDH1A1
SCHEMBL7471148 0.81 HSD17B10 (0.68) HSD17B10POLBKMT2AHPGDALDH1A1
SCHEMBL3079300 0.81 HSD17B10 (0.68) HSD17B10POLBKMT2AHPGDALDH1A1
SCHEMBL9661929 0.81 HSD17B10 (0.67) HSD17B10POLBKMT2AHPGDALDH1A1

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 3 patents. 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
US-3976780-A Methods of protection against emesis in mammals by administration of a 3-alkoxy-thianaphthene-2-carboxamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES L'ILE-DE-FRANCE (FR) 1976-08-24 US disclosed
US-3954748-A ANTIEMETICS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1976-05-04 US disclosed