SCHEMBL6919663

SCHEMBL6919663

O=C(O)[C@H]1OC1c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 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
PTGS2 P35354 1/20 0.43
TSHR P16473 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
FTO Q9C0B1 2/20 0.41
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
RET P07949 1/20 0.39
KDR P35968 1/20 0.39
PPM1B O75688 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL6070420 1.00 EPHX1 (0.48) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL9264620 1.00 EPHX1 (0.48) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL6070434 1.00 EPHX1 (0.48) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL6069547 1.00 EPHX1 (0.48) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL28633045 0.98 EPHX1 (0.47) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL15307543 0.83 EPHX1 (0.67) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL3343090 0.83 EPHX1 (0.67) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL6689012 0.83 EPHX1 (0.67) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL9458781 0.83 EPHX1 (0.67) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL2533818 0.83 EPHX1 (0.67) EPHX1MEN1KMT2ATP53CYP1A2

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-2004005270-A1 AZA-PEPTIDE EPOXIDES GEORGIA TECH RESEARCH CORPORATION (US) 2004-01-15 WO disclosed