SCHEMBL25943142

SCHEMBL25943142

CCOC(=O)c1c(COCc2ccccc2)n(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
SPR P35270 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX15 P16050 1/20 0.38
AGTR1 P30556 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL25942960 0.85 KDM1A (0.41) ALOX5MEN1KMT2AKDM4ELMNA
SCHEMBL25943140 0.81 ALOX5 (0.53) ALOX5MEN1KMT2AKDM4ELMNA
SCHEMBL25944005 0.77 PRMT5 (0.51) ALOX5MEN1KMT2AKDM4ELMNA
SCHEMBL25943128 0.75 AGTR1 (0.39) ALOX5MEN1KMT2AKDM4EALDH1A1
SCHEMBL20618039 0.72 KDM4E (0.40) MEN1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL25943967 0.71 PRMT5 (0.51) ALOX5MEN1KMT2AKDM4ELMNA
SCHEMBL17206150 0.70 MAPT (0.45) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL25942548 0.69 ALOX5 (0.47) ALOX5MEN1KMT2AKDM4ELMNA
SCHEMBL257901 0.69 LIPG (0.59) TSHR
SCHEMBL12997511 0.69 LMNA (0.43) MEN1KMT2AKDM4ELMNASMN1; SMN2

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