SCHEMBL16433385

SCHEMBL16433385

CC(=O)N1CCCCCCCC(C)(C)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
EPHX1 P07099 1/20 0.39
MAPK1 P28482 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
HPGD P15428 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
SCHEMBL16518681 1.00 EPHX2 (0.47) EPHX2CYP1A2TDP1ALDH1A1SMN1; SMN2
SCHEMBL18559671 0.98 EPHX2 (0.46) EPHX2CYP1A2TDP1ALDH1A1SMN1; SMN2
SCHEMBL15506158 0.98 EPHX2 (0.46) EPHX2CYP1A2TDP1ALDH1A1SMN1; SMN2
SCHEMBL15577026 0.98 EPHX2 (0.46) EPHX2CYP1A2TDP1ALDH1A1SMN1; SMN2
SCHEMBL16518667 0.98 EPHX2 (0.46) EPHX2CYP1A2TDP1ALDH1A1SMN1; SMN2
SCHEMBL15576980 0.98 EPHX2 (0.49) EPHX2CYP1A2TDP1ALDH1A1SMN1; SMN2
SCHEMBL16234562 0.96 EPHX2 (0.45) EPHX2CYP1A2TDP1ALDH1A1SMN1; SMN2
SCHEMBL15577029 0.96 EPHX2 (0.45) EPHX2CYP1A2TDP1ALDH1A1SMN1; SMN2
SCHEMBL15827182 0.96 EPHX2 (0.45) EPHX2CYP1A2TDP1ALDH1A1SMN1; SMN2
SCHEMBL15576967 0.96 EPHX2 (0.45) EPHX2CYP1A2TDP1ALDH1A1SMN1; SMN2

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-8946241-B2 Tyrosine kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2015-02-03 US disclosed