SCHEMBL2773796

SCHEMBL2773796

Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1C(C)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 16/20 0.62
MRGPRX4 Q96LA9 1/20 0.41
LIFR P42702 1/20 0.38
NR4A2 P43354 1/20 0.36

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
SCHEMBL2771248 0.94 NR1H4 (0.66) NR1H4MRGPRX4LIFRNR4A2
SCHEMBL2772411 0.89 NR1H4 (0.61) NR1H4MRGPRX4LIFRNR4A2
SCHEMBL2771465 0.88 NR1H4 (0.64) NR1H4MRGPRX4LIFRNR4A2
SCHEMBL2771659 0.88 NR1H4 (0.61) NR1H4MRGPRX4LIFRNR4A2
SCHEMBL2773082 0.88 NR1H4 (0.60) NR1H4MRGPRX4LIFR
SCHEMBL2772758 0.88 NR1H4 (0.60) NR1H4MRGPRX4LIFR
SCHEMBL2771697 0.87 NR1H4 (0.63) NR1H4MRGPRX4
SCHEMBL2770495 0.87 NR1H4 (0.67) NR1H4MRGPRX4LIFR
SCHEMBL2772480 0.85 NR1H4 (0.60) NR1H4MRGPRX4LIFRNR4A2
SCHEMBL2771757 0.85 NR1H4 (0.65) NR1H4MRGPRX4LIFRNR4A2

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