SCHEMBL13745905

SCHEMBL13745905

CCCCCCCCCCCCCCCCCCCONC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
THRB P10828 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
CA1 P00915 7/20 0.39
CA2 P00918 7/20 0.39
LPAR3 Q9UBY5 6/20 0.39
CA9 Q16790 6/20 0.39
LPAR2 Q9HBW0 5/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
LPAR1 Q92633 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39

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
SCHEMBL15283192 1.00 EPHX1 (0.46) EPHX1THRBTSHRMEN1HTT
SCHEMBL15282804 1.00 EPHX1 (0.46) EPHX1THRBTSHRMEN1HTT
SCHEMBL15283021 1.00 EPHX1 (0.46) EPHX1THRBTSHRMEN1HTT
SCHEMBL9816113 1.00 EPHX1 (0.46) EPHX1THRBTSHRMEN1HTT
SCHEMBL6729067 1.00
Bromide SCHEMBL29006840 0.97 EPHX1 (0.45) EPHX1THRBTSHRMEN1HTT
SCHEMBL7004298 0.97
SCHEMBL4769334 0.88
SCHEMBL13745196 0.87 LPAR2 (0.50) LPAR3LPAR2LPAR1
SCHEMBL185163 0.80 THRB (0.47) EPHX1THRBTSHRMEN1HTT

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-20090211907-A1 Separation Medium for Biochemical Analysis JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-27 US disclosed