SCHEMBL9169119

SCHEMBL9169119

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ NAAA Q02083 2/20 0.57
▸ MLYCD O95822 1/20 0.54
▸ THRA P10827 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ CA2 P00918 1/20 0.53
▸ HDAC6 Q9UBN7 7/20 0.51
▸ HDAC1 Q13547 6/20 0.51
▸ HDAC2 Q92769 6/20 0.51
▸ HDAC10 Q969S8 6/20 0.51
▸ HDAC8 Q9BY41 6/20 0.51
▸ HDAC11 Q96DB2 5/20 0.51
▸ HDAC3 O15379 4/20 0.51
▸ HDAC4 P56524 4/20 0.51
▸ HDAC7 Q8WUI4 4/20 0.51
▸ HDAC9 Q9UKV0 4/20 0.51
▸ HDAC5 Q9UQL6 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.50

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
SCHEMBL9165612 0.87 NAAA (0.50) L3MBTL1NAAAMLYCDTHRATHRB
SCHEMBL9164417 0.86 NAAA (0.64) L3MBTL1NAAAMLYCDTHRATHRB
SCHEMBL9169489 0.82 L3MBTL1 (0.50) L3MBTL1NAAAMLYCDTHRATHRB
SCHEMBL30527282 0.81 L3MBTL1 (0.86) L3MBTL1NAAAMLYCDTHRATHRB
SCHEMBL9504178 0.81 L3MBTL1 (0.86) L3MBTL1NAAAMLYCDTHRATHRB
SCHEMBL6535660 0.81 L3MBTL1 (0.86) L3MBTL1NAAAMLYCDTHRATHRB
SCHEMBL10481026 0.81 L3MBTL1 (0.86) L3MBTL1NAAAMLYCDTHRATHRB
SCHEMBL845966 0.81 L3MBTL1 (0.86) L3MBTL1NAAAMLYCDTHRATHRB
SCHEMBL9265536 0.81 L3MBTL1 (0.86) L3MBTL1NAAAMLYCDTHRATHRB
SCHEMBL258708 0.81 L3MBTL1 (0.86) L3MBTL1NAAAMLYCDTHRATHRB

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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