SCHEMBL28573203

SCHEMBL28573203

O[C@H]1[CH]C[C@H](OCc2c(C3CCC(F)(F)CC3)noc2C2CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.40

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
SCHEMBL28915148 1.00 NR1H4 (0.40) NR1H4
SCHEMBL17848927 0.85 NR1H4 (0.39) NR1H4
SCHEMBL17839446 0.78 NR1H4 (0.37) NR1H4
SCHEMBL17839766 0.78 NR1H4 (0.39) NR1H4
SCHEMBL17839342 0.74 NR1H4 (0.34) NR1H4
SCHEMBL28588545 0.72 NR1H4 (0.43) NR1H4
SCHEMBL28581894 0.72 NR1H4 (0.51) NR1H4
SCHEMBL28582358 0.72 NR1H4 (0.47) NR1H4
SCHEMBL28585422 0.72 NR1H4 (0.56) NR1H4
SCHEMBL28578124 0.71 NR1H4 (0.43) NR1H4

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
CN-108064223-B FXR (NR1H4) MODULATING COMPOUNDS CONTAINING HYDROXY GROUPS 吉利德科学公司 2021-06-01 CN disclosed