SCHEMBL9171806

SCHEMBL9171806

CCCCCCCCCCNC(=O)c1cc(C(=O)NCCCCCCCCCC)cc(N(CC(=O)O)CC(=O)OCOC(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ NAAA Q02083 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ FAAH O00519 1/20 0.40
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MLYCD O95822 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CA2 P00918 1/20 0.37
▸ NCEH1 Q6PIU2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL9172011 0.89 PLA2G2A (0.43) PLA2G2ABLMNAAAL3MBTL1SMN1; SMN2
SCHEMBL9172050 0.88 NAAA (0.56) PLA2G2ABLMNAAAL3MBTL1SMN1; SMN2
SCHEMBL9169739 0.88 NAAA (0.56) PLA2G2ABLMNAAAL3MBTL1SMN1; SMN2
SCHEMBL9169965 0.88 NAAA (0.56) PLA2G2ABLMNAAAL3MBTL1SMN1; SMN2
SCHEMBL9165612 0.83 NAAA (0.50) PLA2G2ABLMNAAAL3MBTL1SMN1; SMN2
SCHEMBL9170199 0.78 PLA2G2A (0.77) PLA2G2ABLMTHRATHRB
SCHEMBL9164417 0.75 NAAA (0.64) NAAAL3MBTL1SMN1; SMN2THRATHRB
SCHEMBL9164461 0.75 NAAA (0.52) PLA2G2ANAAAL3MBTL1SMN1; SMN2THRA
SCHEMBL9172331 0.74 L3MBTL1 (0.48) NAAAL3MBTL1SMN1; SMN2THRATHRB
SCHEMBL9163861 0.73 CYP1A2 (0.49) 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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