SCHEMBL6586026

SCHEMBL6586026

Cc1ccc(S(=O)(=O)OC(C)C2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.46
ADORA3 P0DMS8 1/20 0.44
ENPP3 O14638 2/20 0.44
ENPP1 P22413 2/20 0.44
ENPP2 Q13822 2/20 0.44
GAA P10253 1/20 0.43
KCNH2 Q12809 1/20 0.43
TP53 P04637 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2D6 P10635 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2754706 1.00 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4HTTHSD17B10
SCHEMBL4578793 0.98 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4HTTHSD17B10
SCHEMBL14780181 0.95 TSHR (0.45) ALDH1A1TSHRCYP3A4HTTHSD17B10
SCHEMBL3454507 0.92 CYP2D6 (0.44) ALDH1A1TSHRCYP3A4POLBENPP3
SCHEMBL21296440 0.87 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4HTTHSD17B10
SCHEMBL14779667 0.85 ALDH1A1 (0.45) ALDH1A1ENPP3ENPP1ENPP2CHRM2
SCHEMBL3386788 0.84 HTR6 (0.39) ALDH1A1TSHRCYP3A4HTTHSD17B10
SCHEMBL15464976 0.84 HPN (0.41) ALDH1A1CYP3A4GAACYP2D6LMNA
SCHEMBL14779621 0.83 ALDH1A1 (0.42) ALDH1A1TSHRENPP3ENPP1ENPP2
SCHEMBL23145905 0.83 CYP2D6 (0.41) ALDH1A1TSHRCYP3A4POLBENPP3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107098886-B Prazinone-containing quinazolinone PARP-1/2 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-07-14 CN disclosed
US-9240614-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2016-01-19 US disclosed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed
US-20130071733-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2013-03-21 US disclosed
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
EP-0990653-A1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP disclosed