SCHEMBL8798419

SCHEMBL8798419

CC(C)(C)c1ccc(C(=O)O)cc1NC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ PPARG P37231 4/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NR1H4 Q96RI1 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RARB P10826 2/20 0.42
▸ RARG P13631 2/20 0.42
▸ NEU3 Q9UQ49 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ PPARA Q07869 1/20 0.41
▸ CASR P41180 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PDK1 Q15118 1/20 0.40

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
SCHEMBL32667990 0.80 KIF11 (0.51) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL25235287 0.76 AKR1B10 (0.49) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL5032627 0.75 GRIN2D (0.60) KMT2AALDH1A1ALOX12L3MBTL1KDM4E
SCHEMBL13653068 0.75 RARB (0.51) MEN1KMT2ANR1H4MAPTRARB
SCHEMBL3896659 0.75 AKR1B10 (0.47) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL3896652 0.75 AKR1B10 (0.47) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL3335783 0.75 ALDH1A1 (0.69) NPC1PPARGMEN1KMT2ANR1H4
SCHEMBL10742633 0.74 CA12 (0.64) PPARGMEN1KMT2ANR1H4PPARA
SCHEMBL3240455 0.74 CDC25B (0.50) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL25935194 0.74 PTGFR (0.52) NPC1MEN1KMT2AALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763524-A1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO COMPANY LIMITED (JP) 1997-03-19 — — EP disclosed
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