SCHEMBL2771625

SCHEMBL2771625

Cc1cc(OCc2c(C)cnn2-c2c(Cl)cccc2Cl)ccc1N(C)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.47
MRGPRX4 Q96LA9 2/20 0.44
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
PPARA Q07869 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
BCL2 P10415 2/20 0.39
MCL1 Q07820 2/20 0.39
LMNA P02545 1/20 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
SCHEMBL2772150 0.92 MRGPRX4 (0.52) NR1H4MRGPRX4BCL2MCL1
SCHEMBL2773707 0.91 NR1H4 (0.60) NR1H4MRGPRX4RXRARXRBTRPM8
SCHEMBL2775269 0.85 NR1H4 (0.47) NR1H4MRGPRX4RXRARXRBRXRG
SCHEMBL498302 0.84 NR1H4 (0.60) NR1H4MRGPRX4RXRARXRB
SCHEMBL2772065 0.84 NR1H4 (0.46) NR1H4MRGPRX4RXRARXRBRXRG
SCHEMBL2772217 0.84 NR1H4 (0.57) NR1H4MRGPRX4RXRARXRB
SCHEMBL2774437 0.84 NR1H4 (0.50) NR1H4MRGPRX4RXRARXRBRXRG
SCHEMBL2770721 0.83 NR1H4 (0.45) NR1H4MRGPRX4PPARA
SCHEMBL2771180 0.83 NR1H4 (0.63) NR1H4MRGPRX4BCL2MCL1
SCHEMBL2770584 0.83 NR1H4 (0.54) NR1H4MRGPRX4

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