Sugi Predict

Sugi Predict / Compounds / SCHEMBL104619

SCHEMBL104619

SCHEMBL104619

CC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CC2C(=O)NC(C=N)(c3ccc(OC(C)C)cn3)C2=O)C[C@@H]1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ ADAMTS5 Q9UNA0 2/20 0.30

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
SCHEMBL102924 0.85 NR1H2 (0.42) NR1H2NR1H3ADAMTS5
SCHEMBL3604240 0.85 NR1H2 (0.42) NR1H2NR1H3ADAMTS5
SCHEMBL3604244 0.85 NR1H2 (0.42) NR1H2NR1H3ADAMTS5
SCHEMBL3596590 0.77 NR1H2 (0.44) NR1H2NR1H3
SCHEMBL3596593 0.77 NR1H2 (0.44) NR1H2NR1H3
SCHEMBL13072521 0.77 NR1H2 (0.44) NR1H2NR1H3
SCHEMBL106650 0.76 PDK1 (0.38) ADAMTS5
SCHEMBL106649 0.76 PDK1 (0.38) ADAMTS5
SCHEMBL105247 0.76 PDK1 (0.38) ADAMTS5
SCHEMBL3590100 0.75 HTT (0.39) NR1H2NR1H3ADAMTS5

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-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 — — EP disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 — — EP disclosed