SCHEMBL26470798

SCHEMBL26470798

CCOC(=O)N[C@H]1CCc2c(C)c(F)cc(NC(C)=O)c2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
NPC1 O15118 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP11B1 P15538 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
SCHEMBL26471057 0.94 KDM4E (0.34) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL26470796 0.90 KDM4E (0.38) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL20783225 0.88 LMNA (0.41) KMT2AMAPTKDM4ELMNAPOLB
SCHEMBL22200884 0.88 LMNA (0.41) KMT2AMAPTKDM4ELMNAPOLB
SCHEMBL26470320 0.87 CYP11B2 (0.42) MAPTKDM4ELMNAPOLBCYP11B1
SCHEMBL30841590 0.83 ALDH1A1 (0.38) RECQLALDH1A1MEN1KMT2AMAPT
SCHEMBL31518993 0.83 ALDH1A1 (0.38) RECQLALDH1A1MEN1KMT2AMAPT
SCHEMBL26470794 0.83 KDM4E (0.33) ALDH1A1MAPTKDM4ELMNAPOLB
SCHEMBL26623065 0.80 HDAC1 (0.36) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL26623089 0.79 HDAC1 (0.35) ALDH1A1MEN1KMT2AMAPTKDM4E

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-2023072143-A1 CAMPTOTHECIN DERIVATIVE INTERMEDIATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海弼领生物技术有限公司 2023-05-04 WO disclosed