SCHEMBL3674216

SCHEMBL3674216

COc1ccc2coc(O)c2c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
HPGD P15428 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 2/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
MAPT P10636 5/20 0.39
MGAM O43451 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.38
MCL1 Q07820 2/20 0.37
GAA P10253 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
ABL1 P00519 1/20 0.36
PKM P14618 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL28281125 0.73 KDM4E (0.40) KDM4EHPGDALDH1A1HSD17B10MAPK1
SCHEMBL198283 0.69 CYP3A4 (0.44) KDM4EHPGDALDH1A1HSD17B10MAPK1
SCHEMBL3402748 0.67 TUBB4A (0.48) KDM4EHPGDALDH1A1HSD17B10MAPK1
SCHEMBL3674074 0.66 CA9 (0.50) KDM4EHPGDALDH1A1CYP3A4MAPT
SCHEMBL30701949 0.66 CA9 (0.50) KDM4EHPGDALDH1A1CYP3A4MAPT
SCHEMBL8561465 0.66 SMN1; SMN2 (0.47) KDM4EHPGDALDH1A1HSD17B10MAPK1
SCHEMBL1402474 0.65 MAPT (0.61) KDM4EHPGDALDH1A1HSD17B10MAPK1
SCHEMBL3401767 0.65 TUBB4A (0.50) KDM4ECYP3A4MAPTMCL1GAA
SCHEMBL30879595 0.64 CYP1A2 (0.51) KDM4EHPGDALDH1A1HSD17B10MAPK1
SCHEMBL27499528 0.64 CYP1A2 (0.51) KDM4EHPGDALDH1A1HSD17B10MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231573-A1 GOSSYPOL AND APOGOSSYPOL DERIVATIVES, PREPARATION THEREOF AND USES THEREOF Universite Du Maine (Le Mans) (FR) 2010-09-29 EP disclosed
WO-2009080949-A1 GOSSYPOL AND APOGOSSYPOL DERIVATIVES, PREPARATION THEREOF AND USES THEREOF UNIVERSITE DU MAINE (LE MANS) (FR) 2009-07-02 WO disclosed