SCHEMBL8550629

SCHEMBL8550629

O=C(O)[C@@H]1O[C@@H]1c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.69
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGS2 P35354 1/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.37
HSD11B1 P28845 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
MAOB P27338 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
APAF1 O14727 1/20 0.37
POLB P06746 1/20 0.37
GRK2 P25098 1/20 0.37
APOBEC3G Q9HC16 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
SCHEMBL9255795 1.00 EPHX1 (0.69) EPHX1MEN1TP53CYP1A2CYP2C9
SCHEMBL7771291 1.00 EPHX1 (0.69) EPHX1MEN1TP53CYP1A2CYP2C9
SCHEMBL28651494 0.98 EPHX1 (0.67) EPHX1MEN1TP53CYP1A2CYP2C9
SCHEMBL6689012 0.83 EPHX1 (0.67) EPHX1MEN1TP53CYP1A2CYP2C9
SCHEMBL9458781 0.83 EPHX1 (0.67) EPHX1MEN1TP53CYP1A2CYP2C9
SCHEMBL15307543 0.83 EPHX1 (0.67) EPHX1MEN1TP53CYP1A2CYP2C9
SCHEMBL2533818 0.83 EPHX1 (0.67) EPHX1MEN1TP53CYP1A2CYP2C9
SCHEMBL3343090 0.83 EPHX1 (0.67) EPHX1MEN1TP53CYP1A2CYP2C9
SCHEMBL4071198 0.83 EPHX1 (0.67) EPHX1MEN1TP53CYP1A2CYP2C9
SCHEMBL1692473 0.83 EPHX1 (0.67) EPHX1MEN1TP53CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693485-B1 Baccatin derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1998-06-03 EP disclosed
US-5677470-A CHEMICAL INTERMEDIATES; ANTITUMOR AGENTS TANABE SEIYAKU CO., LTD. (JP) 1997-10-14 US disclosed
EP-0693485-A2 Baccatin derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1996-01-24 EP disclosed