SCHEMBL6569183

SCHEMBL6569183

CCC(c1cc(OC)c(OC)cc1Br)C(C)(O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PRKDC P78527 1/20 0.35

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
SCHEMBL6566283 0.75 PPARG (0.46) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6407738 0.71 CYP1A2 (0.45) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24456201 0.70 GAA (0.48) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7281047 0.69 CYP1A2 (0.46) GAACYP1A2CYP3A4CYP2C9CYP2C19
Ethylene SCHEMBL6409433 0.69 CYP1A2 (0.43) GAACYP1A2CYP3A4CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL27836692 0.67 CYP1A2 (0.45) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27795531 0.67 CYP1A2 (0.45) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2174512 0.67 GAA (0.44) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21101887 0.67 GAA (0.46) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6777843 0.67 LCK (0.44) GAACYP1A2CYP3A4CYP2C9CYP2C19

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-1465879-A2 PROCESS FOR THE PREPARATION OF TOFISOPAM AND NEW INTERMEDIATES EGIS GYOGYSZERGYAR RT. (HU) 2004-10-13 EP disclosed
WO-2003050092-A2 PROCESS FOR THE PREPARATION OF TOFISOPAM AND NEW INTERMEDIATES EGIS Gyógyszergyár Rt. (HU) 2003-06-19 WO disclosed