SCHEMBL9172050

SCHEMBL9172050

CCCCCCCCCCCCNC(=O)c1cc(C(=O)NCCCCCCCCCCCC)cc(N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 4/20 0.56
▸ PLA2G2A P14555 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ MLYCD O95822 1/20 0.47
▸ CA2 P00918 1/20 0.46
▸ MAPK1 P28482 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.43

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
SCHEMBL9169739 1.00 NAAA (0.56) NAAAPLA2G2ABLML3MBTL1SMN1; SMN2
SCHEMBL9169965 1.00 NAAA (0.56) NAAAPLA2G2ABLML3MBTL1SMN1; SMN2
SCHEMBL9171806 0.88 PLA2G2A (0.46) NAAAPLA2G2ABLML3MBTL1SMN1; SMN2
SCHEMBL9165612 0.86 NAAA (0.50) NAAAPLA2G2ABLML3MBTL1SMN1; SMN2
SCHEMBL9164417 0.86 NAAA (0.64) NAAAL3MBTL1SMN1; SMN2THRATHRB
SCHEMBL9164461 0.85 NAAA (0.52) NAAAPLA2G2AL3MBTL1SMN1; SMN2THRA
SCHEMBL9172011 0.85 PLA2G2A (0.43) NAAAPLA2G2ABLML3MBTL1SMN1; SMN2
SCHEMBL1978767 0.83 NAAA (0.71) NAAAL3MBTL1SMN1; SMN2THRATHRB
SCHEMBL9979011 0.83 NAAA (0.71) NAAAL3MBTL1SMN1; SMN2THRATHRB
SCHEMBL9978782 0.83 NAAA (0.71) NAAAL3MBTL1SMN1; SMN2THRATHRB

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
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 — — US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 — — US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 — — EP disclosed
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