SCHEMBL3883995

SCHEMBL3883995

CCn1ncc2cc(-c3cc(CCC(=O)O)cc([N+](=O)[O-])c3OC3Cc4ccccc4C3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.36
FFAR4 Q5NUL3 5/20 0.33
KMO O15229 2/20 0.32
FFAR1 O14842 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
SLC16A3 O15427 3/20 0.31
SLC16A1 P53985 3/20 0.31
CACNA1H O95180 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL3883989 1.00 RAD51 (0.36) RAD51FFAR4KMOFFAR1NR1H2
SCHEMBL3887972 0.92 CCNC (0.35) RAD51CACNA1HMEN1KMT2A
SCHEMBL2944409 0.91 AR (0.39) FFAR4SLC16A3SLC16A1
SCHEMBL2944414 0.91 AR (0.39) FFAR4SLC16A3SLC16A1
SCHEMBL3887968 0.89 FFAR4 (0.34) RAD51FFAR4
SCHEMBL923122 0.87 RAD51 (0.38) RAD51FFAR4KMONR1H2NR1H3
SCHEMBL3884090 0.87 CACNA1H (0.40) RAD51FFAR4CACNA1H
SCHEMBL923097 0.86 RAD51 (0.37) RAD51FFAR4KMONR1H2NR1H3
SCHEMBL3888709 0.84 FFAR4 (0.37) RAD51FFAR4FFAR1NR1H2NR1H3
SCHEMBL3888703 0.84 FFAR4 (0.37) RAD51FFAR4FFAR1NR1H2NR1H3

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed