SCHEMBL25947898

SCHEMBL25947898

CCCc1cc(-c2cc3c(C(=O)OCC)c(CNC(=O)OC(C)(C)C)n(C)c3cc2C2CC2)c2ccccc2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SPR P35270 1/20 0.34
RAD52 P43351 1/20 0.34
BRD4 O60885 2/20 0.34
P4HB P07237 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX15 P16050 1/20 0.33
PKM P14618 1/20 0.33
TP53 P04637 1/20 0.32
CYP2D6 P10635 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL25947740 0.87 PKM (0.38) ALOX5MEN1KMT2AKDM4EALDH1A1
SCHEMBL25947210 0.87 KDM4E (0.38) ALOX5MEN1KMT2AKDM4EALDH1A1
SCHEMBL25947313 0.84 CASP3 (0.38) ALOX5MEN1KMT2AKDM4EALDH1A1
SCHEMBL25947897 0.79 RAD52 (0.45) ALOX5MEN1KMT2AKDM4EALDH1A1
SCHEMBL25939889 0.78 PKM (0.41) ALOX5MEN1KMT2AKDM4ESPR
SCHEMBL25949845 0.78 PKM (0.45) ALOX5MEN1KMT2AKDM4EALDH1A1
SCHEMBL25947208 0.77 RAD52 (0.47) ALOX5MEN1KMT2AKDM4EALDH1A1
SCHEMBL25947799 0.77 ALOX5 (0.42) ALOX5MEN1KMT2AKDM4EALDH1A1
SCHEMBL25947855 0.77 RAD52 (0.46) ALOX5MEN1KMT2AKDM4EALDH1A1
SCHEMBL25943902 0.77 ALOX5 (0.44) ALOX5MEN1KMT2AKDM4EALDH1A1

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-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed