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Sugi Predict / Compounds / SCHEMBL11261330

SCHEMBL11261330

SCHEMBL11261330

COC(F)(C(F)(F)F)C(F)(F)c1cc(C)c(NCC(N)=O)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.32
▸ CACNA1F O60840 2/20 0.32
▸ CACNA1D Q01668 2/20 0.32
▸ CACNA1S Q13698 2/20 0.32
▸ CACNA1C Q13936 2/20 0.32

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
SCHEMBL11261326 0.83 RORC (0.34) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11261899 0.82 TACR1 (0.32) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11261894 0.79 PGR (0.38) —
SCHEMBL3899407 0.72 LMNA (0.50) —
SCHEMBL11307510 0.72 PPARD (0.42) —
SCHEMBL11266630 0.69 ALDH1A1 (0.38) —
SCHEMBL11277397 0.68 L3MBTL1 (0.45) —
SCHEMBL11262905 0.67 MEN1 (0.33) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11264346 0.67 TACR1 (0.32) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11306058 0.67 ESR1 (0.42) —

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
US-4322434-A N-Substituted-4-(polyfluoro-2-hydroxy-2-propyl)anilines and compounds related thereto SCHERING CORPORATION (US) 1982-03-30 — — US disclosed
US-4267193-A N-substituted-4-(polyfluoro-2-hydroxy-2-propyl)anilines and compounds related thereto SCHERING CORPORATION (US) 1981-05-12 — — US disclosed