SCHEMBL9165736

SCHEMBL9165736

CCCCCCCCCCNC(=O)c1cc(NCC(=O)OC)cc(C(=O)NCCCCCCCCCC)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ THRA P10827 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MLYCD O95822 1/20 0.46
▸ CA2 P00918 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 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
SCHEMBL9168713 0.86 NAAA (0.57) NAAAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL9163745 0.82 NAAA (0.54) NAAAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL6437809 0.82 NAAA (0.71) NAAAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL1978767 0.82 NAAA (0.71) NAAAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL19326796 0.82 NAAA (0.71) NAAAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL9979011 0.82 NAAA (0.71) NAAAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL9978782 0.82 NAAA (0.71) NAAAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL9979317 0.82 NAAA (0.71) NAAAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL19326794 0.82 NAAA (0.71) NAAAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL1977288 0.82 NAAA (0.71) NAAAL3MBTL1MEN1KMT2ASMN1; SMN2

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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