SCHEMBL31463689

SCHEMBL31463689

CC(C)CC(=O)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C19 P33261 1/20 0.47
SLC25A5 P05141 1/20 0.46
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
MEN1 O00255 1/20 0.43
ELANE P08246 1/20 0.42
GAA P10253 1/20 0.42
TNF P01375 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL24461857 0.87 ALDH1A1 (0.44) ALDH1A1MAPTCYP1A2CYP2C9KMT2A
SCHEMBL28667736 0.84 ALDH1A1 (0.44) ALDH1A1MAPTCYP1A2CYP2C9KMT2A
SCHEMBL859909 0.82 TDP1 (0.50) ALDH1A1MAPTCYP2C9KMT2ACYP2C19
SCHEMBL860107 0.82 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL3674674 0.81 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2C9KMT2A
SCHEMBL29439840 0.81 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2C9KMT2A
SCHEMBL18526265 0.81 ELANE (0.47) ALDH1A1MAPTCYP1A2CYP2C9KMT2A
SCHEMBL16142399 0.80 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2C9KMT2A
SCHEMBL859504 0.80 ALDH1A1 (0.47) ALDH1A1MAPTGAATSHR
SCHEMBL5565510 0.79 ALDH1A1 (0.43) ALDH1A1MAPTCYP1A2CYP2C9KMT2A

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
WO-2025024707-A1 INHIBITORS OF CDK2/4/6 KINASE KINNATE BIOPHARMA INC. (US) 2025-01-30 WO disclosed