SCHEMBL10947566

SCHEMBL10947566

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CACNA1F O60840 10/20 0.42
▸ CACNA1D Q01668 10/20 0.42
▸ CACNA1S Q13698 10/20 0.42
▸ CACNA1C Q13936 10/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HIF1A Q16665 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40

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
SCHEMBL10944369 0.91 SMN1; SMN2 (0.45) ALDH1A1LMNAKMT2APOLB
SCHEMBL10944246 0.88 L3MBTL1 (0.44) ALDH1A1KMT2APOLB
SCHEMBL10944629 0.83 ALDH1A1 (0.42) ALDH1A1HIF1AMEN1LMNACYP1A2
SCHEMBL10942943 0.79 L3MBTL1 (0.43) ALDH1A1LMNAKMT2APOLB
SCHEMBL10945919 0.79 SMN1; SMN2 (0.43) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL10944724 0.77 SMN1; SMN2 (0.42) ALDH1A1LMNAKMT2APOLB
SCHEMBL10945129 0.76 L3MBTL1 (0.43) ALDH1A1LMNAKMT2APOLB
SCHEMBL10942643 0.76 POLB (0.43) ALDH1A1MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10941190 0.72 ACE (0.41) ALDH1A1POLB
SCHEMBL10944276 0.72 ACE (0.45) POLB

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
EP-0031104-B1 THIAZOLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-10-23 — — EP claimed
US-4499102-A HYPOTENSIVE AND ANTIDIABETIC AGENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-02-12 — — US claimed
EP-0031104-A1 Thiazolidine compounds, processes for their preparation and pharmaceutical compositions containing them SANTEN PHARMACEUTICAL CO., LTD. (JP) 1981-07-01 — — EP claimed
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