SCHEMBL16456802

SCHEMBL16456802

Cc1cc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)ccc1-c1nc(C(C)C)c(C(=O)O)s1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.60
HSD17B13 Q7Z5P4 1/20 0.60

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
SCHEMBL16456764 0.91 NR1H4 (0.58) NR1H4HSD17B13
SCHEMBL16456680 0.89 NR1H4 (0.60) NR1H4HSD17B13
SCHEMBL2084409 0.84 NR1H4 (0.59) NR1H4HSD17B13
SCHEMBL2084423 0.84 NR1H4 (0.65) NR1H4HSD17B13
SCHEMBL2084140 0.83 NR1H4 (0.65) NR1H4HSD17B13
SCHEMBL16456820 0.81 NR1H4 (0.62) NR1H4HSD17B13
SCHEMBL16456792 0.81 NR1H4 (0.67) NR1H4HSD17B13
SCHEMBL16457113 0.81 NR1H4 (0.65) NR1H4HSD17B13
SCHEMBL16456777 0.80 NR1H4 (0.58) NR1H4HSD17B13
SCHEMBL2084564 0.79 NR1H4 (0.60) NR1H4HSD17B13

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-1984360-B1 Compounds and methods for modulating FX-receptors LILLY CO ELI (US) 2014-01-15 EP disclosed