SCHEMBL12325504

SCHEMBL12325504

CCOc1cccc2oc(CF)cc(=O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
KDM4E B2RXH2 6/20 0.51
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
PABPC1 P11940 1/20 0.51
CYP2A6 P11509 1/20 0.48
GRK6 P43250 2/20 0.44
LMNA P02545 3/20 0.43
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RECQL P46063 2/20 0.43
GAA P10253 1/20 0.43
GPR35 Q9HC97 2/20 0.43
AR P10275 2/20 0.43
ALDH1A1 P00352 5/20 0.43
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL12324855 0.85 ALDH1A1 (0.58) HPGDMEN1KMT2AKDM4EMAPT
SCHEMBL6956209 0.76 HPGD (0.55) HPGDMEN1KMT2AKDM4EMAPT
SCHEMBL15832516 0.76 GPR35 (0.72) HPGDMEN1KMT2AKDM4EMAPT
SCHEMBL9137293 0.76 ALDH1A1 (0.72) HPGDMEN1KMT2AKDM4EMAPT
SCHEMBL7899205 0.75 HPGD (0.54) HPGDMEN1KMT2AKDM4EMAPT
SCHEMBL6949194 0.75 HPGD (0.51) HPGDMEN1KMT2AKDM4EMAPT
SCHEMBL15842859 0.74 CYP2A6 (0.62) HPGDMEN1KMT2AKDM4EMAPT
SCHEMBL12324852 0.74 HTR2B (0.64) HPGDMEN1KMT2AMAPTAR
SCHEMBL15832512 0.74 GPR35 (0.55) HPGDMEN1KMT2AKDM4EMAPT
SCHEMBL25472689 0.72 TDP1 (0.47) HPGDMEN1KMT2AKDM4EMAPT

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-2368895-A1 Ferrocenyl flavonoids Centre National de la Recherche Scientifique (CNRS) (FR) 2011-09-28 EP disclosed