SCHEMBL9169489

SCHEMBL9169489

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NAAA Q02083 4/20 0.48
▸ THRA P10827 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MLYCD O95822 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ APP P05067 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMPD1 P17405 1/20 0.45
▸ NCEH1 Q6PIU2 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MGLL Q99685 1/20 0.42

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
SCHEMBL9167102 0.88 NAAA (0.53) L3MBTL1NAAATHRATHRBMLYCD
SCHEMBL9172389 0.84 NAAA (0.58) NAAASMN1; SMN2ALDH1A1LMNA
SCHEMBL9169119 0.82 L3MBTL1 (0.59) L3MBTL1NAAATHRATHRBMLYCD
SCHEMBL9165612 0.79 NAAA (0.50) L3MBTL1NAAATHRATHRBMLYCD
SCHEMBL1799707 0.78 L3MBTL1 (0.65) L3MBTL1NAAATHRATHRBMLYCD
SCHEMBL9504178 0.73 L3MBTL1 (0.86) L3MBTL1NAAATHRATHRBMLYCD
SCHEMBL6535660 0.73 L3MBTL1 (0.86) L3MBTL1NAAATHRATHRBMLYCD
SCHEMBL30527282 0.73 L3MBTL1 (0.86) L3MBTL1NAAATHRATHRBMLYCD
SCHEMBL845966 0.73 L3MBTL1 (0.86) L3MBTL1NAAATHRATHRBMLYCD
SCHEMBL9265536 0.73 L3MBTL1 (0.86) L3MBTL1NAAATHRATHRBMLYCD

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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