SCHEMBL4303367

SCHEMBL4303367

CCC1CN(C(=O)c2ccc(F)cc2)C=C(C(=O)O)c2[nH]c3ccccc3c21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 14/20 0.64
POLB P06746 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
ESR1 P03372 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
KCNH2 Q12809 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
SIGMAR1 Q99720 1/20 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
SCHEMBL4303273 0.90 NR1H4 (0.64) NR1H4ABCG2ESR1NR3C1PGR
SCHEMBL4298714 0.90 NR1H4 (0.66) NR1H4ABCB1ABCG2ESR1NR3C1
SCHEMBL273221 0.89 NR1H4 (0.82) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4301951 0.89 NR1H4 (0.66) NR1H4ABCB1ABCG2
SCHEMBL688528 0.87 NR1H4 (0.76) NR1H4ABCB1ABCG2ESR1NR3C1
SCHEMBL273674 0.84 NR1H4 (0.52) NR1H4
SCHEMBL4305806 0.83 NR1H4 (0.48) NR1H4
SCHEMBL275970 0.82 NR1H4 (0.77) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL274983 0.80 NR1H4 (0.54) NR1H4POLBABCB1ABCG2ESR1
SCHEMBL274733 0.79 NR1H4 (0.82) NR1H4ESR1NR3C1PGRNR3C2

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-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US claimed