SCHEMBL14227136

SCHEMBL14227136

CC(C(F)(F)F)C(F)(F)Oc1cccc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.38
CETP P11597 4/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A4 P31645 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 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
SCHEMBL14241255 0.83 MAOB (0.40) MAOBCETPSLC6A4CYP1A2CYP3A4
SCHEMBL1617892 0.82 TRPV1 (0.43) MAOBCETPKMT2ALMNAPOLB
SCHEMBL14227143 0.81 CETP (0.45) CETPSLC6A4ATMKMT2ALMNA
SCHEMBL14227155 0.80 CETP (0.46) CETPSLC6A4ATMNPSR1KMT2A
SCHEMBL14227130 0.79 ALDH1A1 (0.38) MAOBHSD17B10SLC6A4NPSR1KMT2A
SCHEMBL14227119 0.79 HSD17B10 (0.39) MAOBHSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL14227114 0.78 TSHR (0.40) CETPHSD17B10NPSR1ALDH1A1LMNA
SCHEMBL14157395 0.77 MAOB (0.43) MAOBSLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL29351368 0.76 MAOB (0.46) MAOBCETPSLC6A4ALDH1A1
SCHEMBL278324 0.76 MAOB (0.46) MAOBCETPSLC6A4ALDH1A1

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
US-20120313570-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY, AND BATTERY PACK, ELECTRONIC APPLIANCE, ELECTRIC VEHICLE, ELECTRICITY STORAGE APPARATUS, AND ELECTRIC POWER SYSTEM EACH USING NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-12-13 US disclosed