SCHEMBL5823324

SCHEMBL5823324

CCn1c(C(=O)O)cc2ccc(-c3cccc(-c4cc(C(F)(F)F)c(C#N)c(=O)n4Cc4ccc(C)cc4C)c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.43
NR1H3 Q13133 4/20 0.43
RXRA P19793 3/20 0.43
CCR9 P51686 3/20 0.35
TNKS O95271 3/20 0.35
TNKS2 Q9H2K2 3/20 0.35
GRIA2 P42262 2/20 0.35
GRIA4 P48058 2/20 0.35
CCR2 P41597 1/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
POLQ O75417 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL5615829 0.86 RXRA (0.49) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL5666394 0.84 RXRA (0.53) NR1H2NR1H3RXRAMAPTPOLB
SCHEMBL4899355 0.83 RXRA (0.43) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4907807 0.82 NR1H2 (0.47) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4906529 0.82 NR1H2 (0.48) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4908027 0.82 NR1H2 (0.47) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4901856 0.81 NR1H2 (0.47) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4902072 0.81 RXRA (0.46) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL4906328 0.81 NR1H2 (0.46) NR1H2NR1H3RXRATNKSTNKS2
SCHEMBL2264167 0.81 NR1H2 (0.51) NR1H2NR1H3RXRATNKSTNKS2

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-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO claimed