SCHEMBL2769947

SCHEMBL2769947

CCS(C)(c1ccc(C(=O)O)cc1)c1ccc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)cc1C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.39
TRPM8 Q7Z2W7 17/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
LNPEP Q9UIQ6 1/20 0.33

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
SCHEMBL2771304 0.93 NR1H4 (0.43) NR1H4TRPM8LNPEP
SCHEMBL2771579 0.92 NR1H4 (0.40) NR1H4TRPM8LNPEP
SCHEMBL2775280 0.88 NR1H4 (0.40) NR1H4LNPEP
SCHEMBL2770877 0.85 NR1H4 (0.42) NR1H4RXRARXRBRXRGLNPEP
SCHEMBL2773384 0.83 TRPM8 (0.40) NR1H4TRPM8RXRARXRBRXRG
SCHEMBL2771606 0.82 NR1H4 (0.57) NR1H4
SCHEMBL2769939 0.82 NR1H4 (0.41) NR1H4TRPM8RXRARXRBRXRG
SCHEMBL2770116 0.81 KDM4E (0.40) NR1H4TRPM8RXRARXRBRXRG
SCHEMBL2770975 0.79 NR1H4 (0.44) NR1H4TRPM8
SCHEMBL2771301 0.78 NR1H4 (0.43) NR1H4LNPEP

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