SCHEMBL9844387

SCHEMBL9844387

CC(C)N(C(=O)CC(N)=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
KCNA5 P22460 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
SLC6A3 Q01959 3/20 0.39
MC4R P32245 2/20 0.39
DRD3 P35462 2/20 0.39
MC3R P41968 2/20 0.39
LMNA P02545 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
EDNRB P24530 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6427327 0.78 BCAT2 (0.46) ALOX5MEN1KMT2AGAASMN1; SMN2
SCHEMBL9843880 0.75 SOAT1 (0.53) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9844148 0.74 KMT2A (0.41) ALOX5MEN1KMT2AGAALMNA
SCHEMBL17993540 0.73 ALDH1A1 (0.65) MEN1KMT2ASMN1; SMN2NPSR1TRPM8
SCHEMBL6937352 0.71 EPHX1 (0.51) ALOX5KCNA5MEN1KMT2AGAA
SCHEMBL28947058 0.70 CYP1A2 (0.46) ALOX5MEN1KMT2ASMN1; SMN2CYP1A2
Trifluoroacetic Acid SCHEMBL6893985 0.69 DPP8 (0.32)
Hydrochloric Acid SCHEMBL4394995 0.68 ALOX5 (0.43) ALOX5SMN1; SMN2CYP1A2CYP2D6PKM
SCHEMBL1582847 0.68 TRPM8 (0.49) KCNA5MEN1KMT2AGAASMN1; SMN2
SCHEMBL5672188 0.68 MAPT (0.61) MEN1KMT2AGAACYP2D6PKM

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-0433662-A2 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-26 EP claimed