SCHEMBL30970509

SCHEMBL30970509

CC(C)(C)OC(=O)N1CCc2ccc(OCC3CC(F)(F)C3)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.55
▸ ESR2 Q92731 1/20 0.51
▸ F10 P00742 8/20 0.51
▸ ACACB O00763 2/20 0.49
▸ ABHD6 Q9BV23 1/20 0.47
▸ GPR119 Q8TDV5 3/20 0.44
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL27229616 1.00 NR1H2 (0.55) NR1H2ESR2F10ACACBABHD6
SCHEMBL29950478 0.84 F10 (0.52) F10ACACBABHD6HRH3
SCHEMBL6189777 0.84 F10 (0.66) NR1H2ESR2F10ABHD6GPR119
SCHEMBL27229597 0.82 F10 (0.50) F10ACACBABHD6HRH3
SCHEMBL30924593 0.82 F10 (0.50) F10ACACBABHD6HRH3
SCHEMBL6187650 0.81 NR1H2 (0.65) NR1H2ESR2F10ACACBABHD6
SCHEMBL13097234 0.80 ESR2 (0.56) NR1H2ESR2F10ACACBABHD6
SCHEMBL18209393 0.80 NR1H2 (0.63) NR1H2ESR2F10HRH3
SCHEMBL6189797 0.80 NR1H2 (0.63) NR1H2ESR2F10ABHD6GPR119
SCHEMBL1266229 0.80 NR1H2 (0.63) NR1H2ESR2F10ABHD6GPR119

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-117956996-A Compounds and methods for YAP/TEAD modulation and indications therefor OPNA 生物公司 2024-04-30 — — CN disclosed
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