SCHEMBL2775280

SCHEMBL2775280

CCS(C)(c1cccc(CC(=O)O)c1)c1ccc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)cc1C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.40
FFAR1 O14842 3/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
LNPEP Q9UIQ6 1/20 0.32
PPARD Q03181 9/20 0.32
PPARA Q07869 1/20 0.31
P2RY1 P47900 1/20 0.31

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
SCHEMBL2771579 0.93 NR1H4 (0.40) NR1H4FFAR1PTGDR2LNPEPPPARD
SCHEMBL2771304 0.91 NR1H4 (0.43) NR1H4LNPEPPPARDP2RY1
SCHEMBL2769947 0.88 NR1H4 (0.39) NR1H4LNPEP
SCHEMBL2769946 0.84 NR1H4 (0.50) NR1H4FFAR1PPARD
SCHEMBL2775274 0.82 NR1H4 (0.40) NR1H4FFAR1PTGDR2LNPEPPPARD
SCHEMBL2771573 0.79 NR1H4 (0.40) NR1H4FFAR1PTGDR2LNPEPPPARD
SCHEMBL2772145 0.78 NR1H4 (0.51) NR1H4FFAR1PPARD
SCHEMBL2770975 0.77 NR1H4 (0.44) NR1H4PPARA
SCHEMBL2773384 0.76 TRPM8 (0.40) NR1H4PPARA
SCHEMBL2770877 0.75 NR1H4 (0.42) NR1H4LNPEPPPARDPPARA

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