SCHEMBL18716

SCHEMBL18716

Bc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.56
NR1H3 Q13133 15/20 0.56
MLYCD O95822 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL131990 0.87 NR1H2 (0.68) NR1H2NR1H3MLYCDSMN1; SMN2
Water SCHEMBL1684070 0.84 NR1H2 (0.65) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL6808538 0.82 ESR1 (0.61) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL24901413 0.79 NR1H2 (0.61) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL9621271 0.79 NR1H2 (0.60) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL8021367 0.77 NR1H2 (0.58) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL1516045 0.77 ESR1 (0.61) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL19215 0.76 HSD11B1 (0.50) NR1H3
SCHEMBL17054 0.75 NR1H2 (0.56) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL19224 0.75 NR1H2 (0.56) NR1H2NR1H3MLYCDSMN1; SMN2

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
WO-2019177997-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. (US) 2019-09-19 WO disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed