SCHEMBL3342292

SCHEMBL3342292

O=C(Oc1ccccc1CO)Oc1ccccc1CO

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
HPGD P15428 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CXCL8 P10145 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
SCHEMBL1395495 0.85 EPHX1 (0.51) EPHX1CYP4F2CYP4A11HPGDAPOBEC3G
SCHEMBL4787649 0.83 EPHX1 (0.50) EPHX1CYP4F2CYP4A11HPGDKDM4E
SCHEMBL3628841 0.83 PTGS2 (0.53) EPHX1CYP4F2CYP4A11HPGDKDM4E
SCHEMBL8762969 0.83 EPHX1 (0.50) EPHX1CYP4F2CYP4A11HPGDKDM4E
SCHEMBL47950 0.83 L3MBTL1 (0.50) HPGDKDM4EHSD17B10MTNR1AMTNR1B
SCHEMBL29587376 0.83 L3MBTL1 (0.50) HPGDKDM4EHSD17B10MTNR1AMTNR1B
SCHEMBL611227 0.81 CXCL8 (0.40) EPHX1HPGDKDM4EHSD17B10MTNR1A
SCHEMBL7878460 0.81 HPGD (0.39) EPHX1HPGDKDM4EHSD17B10MTNR1A
SCHEMBL609102 0.81 CXCL8 (0.40) EPHX1HPGDKDM4EHSD17B10MTNR1A
SCHEMBL10670224 0.80 EPHX1 (0.48) EPHX1CYP4F2CYP4A11HPGDKDM4E

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-2010051044-A1 UNIQUE DUAL-ACTION THERAPEUTICS UNIVERSITY OF MEDICINE AND DENTISTRY (US) 2010-05-06 WO disclosed