SCHEMBL14918481

SCHEMBL14918481

NC(=O)C(CCCCCCBr)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.53
TBXAS1 P24557 2/20 0.42
HDAC7 Q8WUI4 4/20 0.39
HDAC1 Q13547 3/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
SLC6A3 Q01959 3/20 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
SCHEMBL14917798 0.98 EPHX1 (0.54) EPHX1TBXAS1HDAC7HDAC1TRPM8
SCHEMBL28581228 0.86 TBXAS1 (0.54) EPHX1TBXAS1HDAC7HDAC1CYP2C19
SCHEMBL1433992 0.85 EPHX1 (0.54) EPHX1TBXAS1HDAC7HDAC1CYP2C19
SCHEMBL8584497 0.84 TBXAS1 (0.51) EPHX1TBXAS1HDAC7HDAC1CYP2C19
SCHEMBL6478880 0.84 TBXAS1 (0.51) EPHX1TBXAS1HDAC7HDAC1CYP2C19
SCHEMBL1404164 0.83 EPHX1 (0.53) EPHX1SMN1; SMN2LMNAMMP9MMP8
SCHEMBL18248508 0.83 EPHX1 (0.53) EPHX1SMN1; SMN2LMNAMMP9MMP8
SCHEMBL8763769 0.83 EPHX1 (0.53) EPHX1SMN1; SMN2LMNAMMP9MMP8
SCHEMBL7642789 0.83 EPHX1 (0.53) EPHX1SMN1; SMN2LMNAMMP9MMP8
SCHEMBL21359023 0.83 EPHX1 (0.53) EPHX1SMN1; SMN2LMNAMMP9MMP8

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-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed