SCHEMBL11176247

SCHEMBL11176247

COc1ccccc1OC(=O)CNC(=O)C(C)SC(=O)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ KMT2A Q03164 6/20 0.45
▸ APLNR P35414 1/20 0.44
▸ CTNNB1 P35222 1/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TOP2A P11388 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TSHR P16473 1/20 0.39

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
SCHEMBL11261569 0.83 POLB (0.42) KMT2AL3MBTL1MAPTALDH1A1MEN1
SCHEMBL11268894 0.81 MTNR1A (0.46) HPGDKMT2AL3MBTL1MAPTALDH1A1
SCHEMBL11260727 0.81 MTNR1A (0.43) HPGDKMT2AL3MBTL1MAPTALDH1A1
Stepronin SCHEMBL19338 0.80 ELANE (0.56) ELANEHPGDKMT2AMAPTALDH1A1
Stepronin SCHEMBL19339 0.80 ELANE (0.56) ELANEHPGDKMT2AMAPTALDH1A1
Stepronin SCHEMBL1651441 0.78 ELANE (0.54) ELANEHPGDKMT2AMAPTGAA
SCHEMBL11268041 0.74 KIF11 (0.41) HPGDKMT2AL3MBTL1MAPTALDH1A1
SCHEMBL11179639 0.73 MTNR1A (0.47) HPGDKMT2AL3MBTL1MAPTALDH1A1
SCHEMBL11132160 0.69 TSHR (0.42) ELANEHPGDKMT2AAPLNRCTNNB1
SCHEMBL10589127 0.69 ELANE (0.53) ELANEHPGDKMT2AL3MBTL1MAPT

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-4405638-A ANTITUSSIVE AGENTS; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A (IT) 1983-09-20 — — US disclosed
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