SCHEMBL25070374

SCHEMBL25070374

COc1cc(-c2ccc(CCC(C)C)cc2F)ccc1-c1ccc(-c2ccc(-c3ccc(CCC(C)C)cc3F)cc2OC)c2nsnc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC10A2 Q12908 1/20 0.38
▸ KCNH2 Q12809 3/20 0.35
▸ TMEM97 Q5BJF2 2/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ GRM2 Q14416 2/20 0.35
▸ STAT3 P40763 1/20 0.34
▸ GAK O14976 1/20 0.34
▸ AAK1 Q2M2I8 2/20 0.34
▸ ABCB1 P08183 1/20 0.33
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ CTSA P10619 2/20 0.32
▸ CYP17A1 P05093 1/20 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
SCHEMBL22239080 0.86 CHKA (0.34) GRM2
SCHEMBL25070373 0.85 HTR1A (0.33) KCNH2TMEM97SIGMAR1STAT3GAK
SCHEMBL22241055 0.83 CYP2C19 (0.39) GRM2
SCHEMBL29336427 0.79 — —
SCHEMBL22239082 0.78 L3MBTL1 (0.34) CYP17A1
SCHEMBL21608566 0.78 TMEM97 (0.36) KCNH2TMEM97SIGMAR1
SCHEMBL29336498 0.78 ESR1 (0.35) —
SCHEMBL25070427 0.76 GCGR (0.37) —
SCHEMBL20806204 0.76 ESR1 (0.36) —
SCHEMBL19636613 0.75 RARB (0.36) —

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
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
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