SCHEMBL2769786

SCHEMBL2769786

Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1/C=C/c1cccc(C(=O)O)c1

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.88
MEN1 O00255 1/20 0.52
FABP1 P07148 1/20 0.52
THRB P10828 1/20 0.52
LIFR P42702 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B13 Q7Z5P4 1/20 0.52

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
SCHEMBL2769788 1.00 NR1H4 (0.88) NR1H4MEN1FABP1THRBLIFR
SCHEMBL2771713 0.91 NR1H4 (0.72) NR1H4MEN1FABP1THRBLIFR
SCHEMBL2771715 0.91 NR1H4 (0.72) NR1H4MEN1FABP1THRBLIFR
SCHEMBL2773683 0.91 NR1H4 (0.72) NR1H4MEN1FABP1THRBLIFR
SCHEMBL2773684 0.91 NR1H4 (0.72) NR1H4MEN1FABP1THRBLIFR
SCHEMBL10157975 0.86 NR1H4 (0.88) NR1H4MEN1FABP1THRBLIFR
SCHEMBL2771761 0.84 NR1H4 (0.64) NR1H4MEN1FABP1THRBLIFR
SCHEMBL2771763 0.84 NR1H4 (0.64) NR1H4MEN1FABP1THRBLIFR
SCHEMBL2770317 0.84 NR1H4 (0.68) NR1H4LIFR
SCHEMBL2770495 0.84 NR1H4 (0.67) NR1H4LIFR

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