SCHEMBL10942716

SCHEMBL10942716

O=C(O)CCCCCCCCCCCCC(=O)N1C(c2ccccc2[N+](=O)[O-])SC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.53
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ FFAR2 O15552 7/20 0.41
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GFER P55789 1/20 0.37
▸ HTT P42858 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
SCHEMBL10940664 0.84 ACE (0.75) ACELMNAALDH1A1FFAR2POLB
SCHEMBL10944736 0.81 ACE (0.58) ACELMNAALDH1A1FFAR2POLB
SCHEMBL10942643 0.81 POLB (0.43) ACEALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL11000518 0.81 POLB (0.43) ACEALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL10941388 0.81 POLB (0.43) ACEALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL10941007 0.80 ACE (0.77) ACELMNAALDH1A1FFAR2POLB
SCHEMBL11004289 0.80 ACE (0.80) ACELMNAALDH1A1FFAR2POLB
SCHEMBL10944246 0.80 L3MBTL1 (0.44) ACEALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL10942993 0.80 L3MBTL1 (0.44) ACEALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL10944250 0.78 ACE (0.53) ACELMNAALDH1A1FFAR2POLB

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 disclosed
US-4499102-A HYPOTENSIVE AND ANTIDIABETIC AGENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-02-12 — — US disclosed
EP-0031104-A1 Thiazolidine compounds, processes for their preparation and pharmaceutical compositions containing them SANTEN PHARMACEUTICAL CO., LTD. (JP) 1981-07-01 — — EP disclosed
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