SCHEMBL8610756

SCHEMBL8610756

CC1=C(CCC(C)(O)C#CCO)C(C)(C)CCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RARB P10826 2/20 0.36
▸ RARG P13631 2/20 0.36
▸ RARA P10276 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ ACE2 Q9BYF1 4/20 0.34
▸ PDCD1 Q15116 3/20 0.34
▸ CD274 Q9NZQ7 3/20 0.34
▸ TRPA1 O75762 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ACHE P22303 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
SCHEMBL8612375 0.85 ALDH1A1 (0.39) ALDH1A1GAAMAPTNPSR1MEN1
SCHEMBL9495399 0.82 RARB (0.38) ALDH1A1GAAMAPTNPSR1MEN1
SCHEMBL14335102 0.82 ALDH1A1 (0.40) ALDH1A1GAAMAPTNPSR1MEN1
SCHEMBL18475 0.82 ALDH1A1 (0.40) ALDH1A1GAAMAPTNPSR1MEN1
SCHEMBL14377497 0.79 ALDH1A1 (0.45) ALDH1A1GAAMAPTNPSR1MEN1
SCHEMBL9493642 0.76 — —
SCHEMBL1105235 0.74 MAPT (0.41) ALDH1A1GAAMAPTNPSR1MEN1
SCHEMBL4304302 0.72 ALDH1A1 (0.49) ALDH1A1GAAMAPTNPSR1MEN1
SCHEMBL17706525 0.71 ALDH1A1 (0.40) ALDH1A1GAAMAPTNPSR1MEN1
SCHEMBL14284324 0.70 ALDH1A1 (0.39) ALDH1A1GAAMAPTNPSR1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558928-B1 Furanethers and their use as perfume FIRMENICH & CIE (CH) 1998-04-15 — — EP disclosed
US-5268355-A Naphto(2,1-b)furan structure FIRMENICH S.A. (CH) 1993-12-07 — — US disclosed
EP-0558928-A2 Furanethers and their use as perfume FIRMENICH SA (CH) 1993-09-08 — — EP disclosed
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