SCHEMBL10945129

SCHEMBL10945129

O=C(O)CCCCCCCC(=O)N1C(c2cccc([N+](=O)[O-])c2)SC[C@H]1OC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TBXAS1 P24557 1/20 0.37

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
SCHEMBL10945919 0.97 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL10944246 0.85 L3MBTL1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL10942993 0.85 L3MBTL1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL10942665 0.82 SMN1; SMN2 (0.45) L3MBTL1ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL10944369 0.82 SMN1; SMN2 (0.45) L3MBTL1ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL10945948 0.82 PTGFR (0.39) —
SCHEMBL10944629 0.79 ALDH1A1 (0.42) L3MBTL1ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL10942431 0.79 USP30 (0.36) —
SCHEMBL10943203 0.75 ACE (0.53) ALDH1A1KMT2APOLBLMNA
SCHEMBL10942943 0.74 L3MBTL1 (0.43) L3MBTL1ALDH1A1SMN1; SMN2KMT2APOLB

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
EP-0031104-B1 THIAZOLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-10-23 — — EP claimed
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