SCHEMBL25822316

SCHEMBL25822316

CC(C)c1cc(C(C)C)c(=O)n2c1CCC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE3B Q13370 8/20 0.33
PDE3A Q14432 8/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HTR2C P28335 1/20 0.32
PIK3CD O00329 1/20 0.31

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
SCHEMBL25808458 0.88 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL18538397 0.86 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL25808621 0.82 CNR1 (0.32) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL18538401 0.81 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL18163716 0.72 HPGD (0.38) ALDH1A1KDM4EUSP2GAAHPGD
SCHEMBL22016184 0.71 TLR8 (0.32) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL21105011 0.70 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL18878416 0.69 MCL1 (0.53) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL18163726 0.67 CNR1 (0.39) ALDH1A1KDM4EUSP2GAAHPGD
SCHEMBL21937598 0.67 ALDH1A1 (0.36) ALDH1A1KDM4EUSP2LMNAMAPT

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-2023125182-A1 PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF 海思科医药集团股份有限公司 2023-07-06 WO disclosed