SCHEMBL4031907

SCHEMBL4031907

Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1CCSc1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 14/20 0.57
MRGPRX4 Q96LA9 1/20 0.37
LIFR P42702 1/20 0.35
NR4A2 P43354 2/20 0.35
FFAR1 O14842 1/20 0.35
PLA2G4A P47712 1/20 0.34

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
SCHEMBL2772480 0.91 NR1H4 (0.60) NR1H4MRGPRX4LIFRNR4A2PLA2G4A
SCHEMBL2771465 0.89 NR1H4 (0.64) NR1H4MRGPRX4LIFRNR4A2
SCHEMBL4042349 0.87 NR1H4 (0.52) NR1H4MRGPRX4FFAR1
SCHEMBL2770890 0.87 NR1H4 (0.64) NR1H4MRGPRX4LIFRNR4A2
SCHEMBL2772758 0.85 NR1H4 (0.60) NR1H4MRGPRX4LIFR
SCHEMBL2770317 0.85 NR1H4 (0.68) NR1H4MRGPRX4LIFRNR4A2
SCHEMBL2770824 0.84 NR1H4 (0.59) NR1H4MRGPRX4
SCHEMBL2787707 0.84 NR1H4 (0.59) NR1H4MRGPRX4NR4A2
SCHEMBL2770618 0.84 NR1H4 (0.58) NR1H4MRGPRX4LIFR
SCHEMBL2772215 0.83 NR1H4 (0.56) NR1H4MRGPRX4LIFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed