SCHEMBL2772065

SCHEMBL2772065

CCCc1c(C)nn(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2ccc(C(=O)O)cc2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 11/20 0.46
MRGPRX4 Q96LA9 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PPARA Q07869 1/20 0.40
BCL2 P10415 2/20 0.39
MCL1 Q07820 2/20 0.39
LIFR P42702 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
NR4A2 P43354 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
SCHEMBL2775269 0.94 NR1H4 (0.47) NR1H4MRGPRX4RXRARXRBRXRG
SCHEMBL2775206 0.93 MRGPRX4 (0.48) NR1H4MRGPRX4PPARABCL2MCL1
SCHEMBL2770721 0.90 NR1H4 (0.45) NR1H4MRGPRX4PPARALIFR
SCHEMBL2773814 0.86 MRGPRX4 (0.50) NR1H4MRGPRX4BCL2MCL1
SCHEMBL2833139 0.85 NR1H4 (0.44) NR1H4MRGPRX4RXRARXRBRXRG
SCHEMBL2772063 0.84 PPARA (0.43) NR1H4MRGPRX4RXRARXRBRXRG
SCHEMBL2771625 0.84 NR1H4 (0.47) NR1H4MRGPRX4RXRARXRBRXRG
SCHEMBL2770436 0.83 MRGPRX4 (0.48) NR1H4MRGPRX4BCL2MCL1LIFR
SCHEMBL498302 0.81 NR1H4 (0.60) NR1H4MRGPRX4RXRARXRBLIFR
SCHEMBL2773707 0.81 NR1H4 (0.60) NR1H4MRGPRX4RXRARXRBLIFR

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-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed