SCHEMBL9164417

SCHEMBL9164417

CCCCCCCCCCNC(=O)c1ccc(N(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ MLYCD O95822 1/20 0.57
▸ THRA P10827 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ MAPK1 P28482 1/20 0.55
▸ HDAC6 Q9UBN7 8/20 0.53
▸ HDAC1 Q13547 7/20 0.53
▸ HDAC10 Q969S8 7/20 0.53
▸ HDAC2 Q92769 6/20 0.53
▸ HDAC8 Q9BY41 6/20 0.53
▸ HDAC11 Q96DB2 5/20 0.53
▸ HDAC3 O15379 4/20 0.53
▸ HDAC4 P56524 4/20 0.53
▸ HDAC7 Q8WUI4 4/20 0.53
▸ HDAC9 Q9UKV0 4/20 0.53
▸ HDAC5 Q9UQL6 4/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52

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
SCHEMBL9169119 0.86 L3MBTL1 (0.59) NAAAL3MBTL1MLYCDTHRATHRB
SCHEMBL9169965 0.86 NAAA (0.56) NAAAL3MBTL1MLYCDTHRATHRB
SCHEMBL9172050 0.86 NAAA (0.56) NAAAL3MBTL1MLYCDTHRATHRB
SCHEMBL9169739 0.86 NAAA (0.56) NAAAL3MBTL1MLYCDTHRATHRB
SCHEMBL24193374 0.85 L3MBTL1 (0.73) NAAAL3MBTL1MLYCDTHRATHRB
SCHEMBL6535660 0.83 L3MBTL1 (0.86) NAAAL3MBTL1MLYCDTHRATHRB
SCHEMBL9265536 0.83 L3MBTL1 (0.86) NAAAL3MBTL1MLYCDTHRATHRB
SCHEMBL9504178 0.83 L3MBTL1 (0.86) NAAAL3MBTL1MLYCDTHRATHRB
SCHEMBL845966 0.83 L3MBTL1 (0.86) NAAAL3MBTL1MLYCDTHRATHRB
SCHEMBL30527282 0.83 L3MBTL1 (0.86) NAAAL3MBTL1MLYCDTHRATHRB

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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