SCHEMBL9495399

SCHEMBL9495399

CC(=O)OCC#CC(C)(O)CCC1=C(C)CCCC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.38
▸ RARG P13631 2/20 0.38
▸ RARA P10276 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ ACE2 Q9BYF1 4/20 0.38
▸ PDCD1 Q15116 3/20 0.38
▸ CD274 Q9NZQ7 3/20 0.38
▸ TRPA1 O75762 5/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SLCO1B3 Q9NPD5 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SLCO1B1 Q9Y6L6 1/20 0.35
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31

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
SCHEMBL8610756 0.82 ALDH1A1 (0.38) RARBRARGRARARXRAACE2
SCHEMBL9494339 0.80 — —
SCHEMBL9494468 0.79 TRPA1 (0.37) RARBRARGRARARXRAACE2
SCHEMBL8612375 0.78 ALDH1A1 (0.39) RARBRARGRARARXRAACE2
SCHEMBL18475 0.75 ALDH1A1 (0.40) RARBRARGRARARXRAACE2
SCHEMBL14335102 0.75 ALDH1A1 (0.40) RARBRARGRARARXRAACE2
SCHEMBL14377497 0.73 ALDH1A1 (0.45) RARBRARGRARARXRAACE2
SCHEMBL3390707 0.70 RARB (0.44) RARBRARGRARARXRAACE2
SCHEMBL1105235 0.68 MAPT (0.41) RARBRARGRARARXRAACE2
SCHEMBL17706525 0.68 ALDH1A1 (0.40) RARBRARGRARARXRAACE2

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-5268355-A Naphto(2,1-b)furan structure FIRMENICH S.A. (CH) 1993-12-07 — — US disclosed
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