SCHEMBL9167102

SCHEMBL9167102

CCCCCCCCCCNC(=O)c1ccc(C(=O)NCCCCCCCCCC)c(N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 4/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ THRA P10827 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ MLYCD O95822 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ CA2 P00918 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ NCEH1 Q6PIU2 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM5A P29375 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
SCHEMBL9169489 0.88 L3MBTL1 (0.50) NAAAL3MBTL1THRATHRBMLYCD
SCHEMBL9417671 0.84 NAAA (0.60) NAAASMN1; SMN2ALDH1A1LMNAALOX15
SCHEMBL9164417 0.81 NAAA (0.64) NAAAL3MBTL1THRATHRBMLYCD
SCHEMBL1799707 0.80 L3MBTL1 (0.65) NAAAL3MBTL1THRATHRBMLYCD
SCHEMBL9169965 0.78 NAAA (0.56) NAAAL3MBTL1THRATHRBMLYCD
SCHEMBL9172050 0.78 NAAA (0.56) NAAAL3MBTL1THRATHRBMLYCD
SCHEMBL9169739 0.78 NAAA (0.56) NAAAL3MBTL1THRATHRBMLYCD
SCHEMBL845966 0.75 L3MBTL1 (0.86) NAAAL3MBTL1THRATHRBMLYCD
SCHEMBL9504178 0.75 L3MBTL1 (0.86) NAAAL3MBTL1THRATHRBMLYCD
SCHEMBL9265536 0.75 L3MBTL1 (0.86) NAAAL3MBTL1THRATHRBMLYCD

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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