SCHEMBL11830217

SCHEMBL11830217

CCOC(=O)CCC(SC(C)=S)c1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP4F2 P78329 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MME P08473 1/20 0.35
▸ GRM6 O15303 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CDC7 O00311 1/20 0.33
▸ DBF4 Q9UBU7 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PAK1 Q13153 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33

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
SCHEMBL11835181 0.81 KDM4E (0.37) ALDH1A1SMN1; SMN2MAPTMEN1LMNA
SCHEMBL11835413 0.81 PTPN1 (0.42) PTPN1ALDH1A1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL11827151 0.77 PTPN1 (0.43) PTPN1ALDH1A1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL11824491 0.76 MME (0.44) MMEPAK1AKR1C3AKR1C2DPP4
SCHEMBL11830204 0.75 MAOB (0.41) PTPN1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL11841294 0.74 KDM4E (0.39) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11847739 0.73 KDM4E (0.38) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL11837141 0.73 ALDH1A1 (0.43) PTPN1ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL11827580 0.73 ALDH1A1 (0.43) PTPN1ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL11826415 0.72 KMT2A (0.50) PTPN1ALDH1A1SMN1; SMN2CYP4F2CYP4A11

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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