SCHEMBL20094448

SCHEMBL20094448

Cc1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.73
PPARD Q03181 1/20 0.64
LIFR P42702 2/20 0.63

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
SCHEMBL4840400 0.88 NR1H4 (0.69) NR1H4LIFR
SCHEMBL4835608 0.88 NR1H4 (0.69) NR1H4PPARDLIFR
SCHEMBL2083796 0.88 NR1H4 (0.69) NR1H4LIFR
SCHEMBL4835579 0.88 NR1H4 (0.71) NR1H4PPARDLIFR
SCHEMBL4797323 0.87 NR1H4 (0.78) NR1H4LIFR
SCHEMBL19499079 0.87 NR1H4 (0.82) NR1H4PPARDLIFR
SCHEMBL4840276 0.87 NR1H4 (0.70) NR1H4PPARDLIFR
SCHEMBL4837149 0.86 NR1H4 (0.66) NR1H4LIFR
SCHEMBL4838421 0.86 NR1H4 (0.76) NR1H4PPARDLIFR
SCHEMBL3994761 0.85 NR1H4 (0.69) NR1H4PPARDLIFR

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-3529247-B1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS HK LTD (HK) 2021-08-18 EP disclosed
WO-2018075207-A1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS, INC. (VG) 2018-04-26 WO disclosed