SCHEMBL2773047

SCHEMBL2773047

CC(C)c1cnn(-c2c(Cl)cccc2Cl)c1COc1ccc(C(C)Sc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.64
MRGPRX4 Q96LA9 4/20 0.46
LIFR P42702 2/20 0.40
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2775091 0.92 NR1H4 (0.59) NR1H4MRGPRX4LIFRRXRARXRB
SCHEMBL2771205 0.90 NR1H4 (0.56) NR1H4MRGPRX4LIFR
SCHEMBL2772976 0.90 NR1H4 (0.63) NR1H4MRGPRX4LIFR
SCHEMBL2773104 0.85 NR1H4 (0.66) NR1H4MRGPRX4LIFRRXRARXRB
SCHEMBL2772758 0.82 NR1H4 (0.60) NR1H4MRGPRX4LIFR
SCHEMBL2771659 0.82 NR1H4 (0.61) NR1H4MRGPRX4LIFRRXRARXRB
SCHEMBL2771138 0.82 NR1H4 (0.55) NR1H4MRGPRX4LIFRRXRARXRB
SCHEMBL2772298 0.82 NR1H4 (0.54) NR1H4MRGPRX4
SCHEMBL4036782 0.82 NR1H4 (0.61) NR1H4MRGPRX4LIFR
SCHEMBL2771158 0.81 NR1H4 (0.61) 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 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