SCHEMBL9823973

SCHEMBL9823973

CC(=O)CC(=O)NC(=C(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
CES1 P23141 2/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CES2 O00748 1/20 0.41
ALDH1A1 P00352 5/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 2/20 0.40
HIF1A Q16665 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 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
SCHEMBL10613362 0.84 PTPN1 (0.47) MAPTMEN1KMT2AKDM4ECES1
SCHEMBL4438781 0.81 ALDH1A1 (0.51) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL6552377 0.80 CES1 (0.46) MAPTMEN1KMT2AKDM4ECES1
SCHEMBL2526723 0.75 ALDH1A1 (0.53) MAPTMEN1KMT2AKDM4ECES1
SCHEMBL4398385 0.73 ALDH1A1 (0.59) MAPTMEN1KMT2AKDM4ECES1
SCHEMBL14402439 0.72 MAOA (0.41) MAPTMEN1KMT2AKDM4ECES1
SCHEMBL9203017 0.72 NPC1 (0.55) MEN1KMT2AKDM4ETDP1SMN1; SMN2
SCHEMBL15116 0.71 KMT2A (0.73) MAPTMEN1KMT2AKDM4ECES1
SCHEMBL11373627 0.71 KMT2A (0.73) MAPTMEN1KMT2AKDM4ECES1
Benzil SCHEMBL10862036 0.71 CES2 (0.67) MAPTMEN1KMT2AKDM4ECES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3153654-A None JP disclosed
JP-H03153654-A NEW BETA-KETOAMIDE AND PRODUCTION THEREOF DAICEL CHEM IND LTD 1991-07-01 JP disclosed