SCHEMBL7775683

SCHEMBL7775683

O=C(c1ccccc1)[C@H]1O[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.77
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
CYP1A2 P05177 2/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
TP53 P04637 1/20 0.73
HPGD P15428 1/20 0.73
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 2/20 0.44
MGLL Q99685 1/20 0.43
TSHR P16473 2/20 0.41
MAOB P27338 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL7112702 1.00 EPHX1 (0.77) EPHX1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL28417226 0.93 EPHX1 (0.77) EPHX1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL31517140 0.93 EPHX1 (0.65) EPHX1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL3839853 0.87 EPHX1 (1.00) EPHX1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL657100 0.87 EPHX1 (1.00) EPHX1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL22754575 0.87 EPHX1 (1.00) EPHX1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL6047362 0.87 EPHX1 (1.00) EPHX1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL3839852 0.87 EPHX1 (1.00) EPHX1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL655373 0.84 EPHX1 (1.00) EPHX1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL11492082 0.84 EPHX1 (0.79) EPHX1MEN1KMT2ACYP1A2CYP2C9

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-1127885-A2 Optically active epoxypropionate derivatives, intermediates, and processes for their production Tosoh Corporation (JP) 2001-08-29 EP disclosed