SCHEMBL7703290

SCHEMBL7703290

COc1ccc2c(c1)C(C(=O)OC(C(F)(F)F)C(F)(F)F)c1cc(OC)ccc1N2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 5/20 0.44
MGLL Q99685 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRM1 P35372 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
SNCA P37840 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL7703961 0.82 ABHD6 (0.41) ABHD6ALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL7702433 0.80 HDAC4 (0.50) ABHD6MGLLALDH1A1LMNAGAA
SCHEMBL7702518 0.79 PGR (0.43) ABHD6MGLLLMNAGAAMEN1
SCHEMBL7793219 0.77 LMNA (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7787073 0.73 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL38665317 0.72 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL38664719 0.72 ATM (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8741716 0.72 SMN1; SMN2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL38664476 0.72 LPAR1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7755171 0.72 SNCA (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19

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-0915851-B1 DIBENZODIHYDROPYRIDINECARBOXYLIC ESTERS AND THEIR USE IN CHEMILUMINESCENT ASSAY METHODS NEDERLANDEN STAAT (NL) 2002-03-20 EP disclosed
US-6030803-A FOR USE AS SUBSTRATE IN PEROXIDASE ASSAYS; ALPHA-CARBON ATOM OF THE ESTER ALKYL GROUP IS AN ALIPHATIC CARBON ATOM DE STAAT DER NEDERLANDEN, VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGESZONHEID EN CULTUUR (NL) 2000-02-29 US disclosed