SCHEMBL30110872

SCHEMBL30110872

O=S(=O)(c1cccc(C(F)(F)F)c1)N1C[C@H](CO)Oc2ccc(-c3cc(F)cc(OC(F)F)c3)cc21

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 20/20 0.83
▸ NR1I2 O75469 3/20 0.81
▸ RORA P35398 1/20 0.81
▸ RORB Q92753 1/20 0.81

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
SCHEMBL28979128 1.00 RORC (0.83) RORCNR1I2RORARORB
SCHEMBL24840409 1.00 RORC (0.83) RORCNR1I2RORARORB
SCHEMBL21312626 0.92 RORC (0.85) RORCNR1I2RORARORB
SCHEMBL20957188 0.91 RORC (1.00) RORCNR1I2RORARORB
SCHEMBL20957185 0.91 RORC (1.00) RORCNR1I2RORARORB
SCHEMBL18312493 0.91 RORC (1.00) RORCNR1I2RORARORB
SCHEMBL29493915 0.91 RORC (1.00) RORCNR1I2RORARORB
Cintirorgon SCHEMBL20957370 0.90 RORC (1.00) RORCNR1I2RORARORB
Cintirorgon SCHEMBL18302870 0.90 RORC (1.00) RORCNR1I2RORARORB
Cintirorgon SCHEMBL29379832 0.90 RORC (1.00) RORCNR1I2RORARORB

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-115557913-A Benzoazaheterocyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2023-01-03 — — CN disclosed
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