SCHEMBL11222613

SCHEMBL11222613

CC(C(=O)N1C(c2cccc([N+](=O)[O-])c2)SC[C@H]1C(=O)O)c1cccc(CCC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FFAR1 O14842 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PDE5A O76074 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL11199902 0.79 SMN1; SMN2 (0.42) POLBKMT2ASMN1; SMN2HSD17B10PDE5A
SCHEMBL10942993 0.77 L3MBTL1 (0.44) POLBKMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10944246 0.77 L3MBTL1 (0.44) POLBKMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10944369 0.76 SMN1; SMN2 (0.45) POLBKMT2AL3MBTL1SMN1; SMN2HSD17B10
SCHEMBL10942665 0.76 SMN1; SMN2 (0.45) POLBKMT2AL3MBTL1SMN1; SMN2HSD17B10
SCHEMBL10942943 0.76 L3MBTL1 (0.43) POLBKMT2AL3MBTL1SMN1; SMN2HSD17B10
SCHEMBL10944724 0.72 SMN1; SMN2 (0.42) POLBKMT2AL3MBTL1SMN1; SMN2HSD17B10
SCHEMBL11199916 0.70 SMN1; SMN2 (0.44) POLBKMT2AL3MBTL1SMN1; SMN2PDE5A
SCHEMBL81066 0.69 FFAR1 (0.66) KMT2AFFAR1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL8871859 0.69 FFAR1 (0.66) KMT2AFFAR1L3MBTL1SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57106658-A — — None — — JP disclosed
JP-S57106658-A CARBOXYLIC ACID DERIVATIVE SANTEN PHARMACEUT CO LTD 1982-07-02 — — JP disclosed
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