SCHEMBL7767599

SCHEMBL7767599

CCC(=O)OCC(C)(C)CC=C(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.33
NAAA Q02083 1/20 0.33
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 1/20 0.31
ALOX15 P16050 1/20 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
SCHEMBL17106178 0.82 L3MBTL1 (0.41) L3MBTL1ALDH1A1MEN1TSHRKMT2A
SCHEMBL14472846 0.80 NAAA (0.43) ALDH1A1NAAACYP1A2HPGDCYP2C19
SCHEMBL11300453 0.77 L3MBTL1 (0.38) L3MBTL1ALDH1A1MEN1TSHRKMT2A
SCHEMBL6789266 0.76 NAAA (0.40) ALDH1A1NAAACYP1A2HPGDCYP2C19
SCHEMBL27853451 0.74 NAAA (0.39) ALDH1A1NAAACYP1A2HPGDCYP2C19
SCHEMBL4450857 0.73 NAAA (0.41) ALDH1A1NAAACYP1A2HPGDCYP2C19
SCHEMBL17653501 0.72 L3MBTL1 (0.35) L3MBTL1ALDH1A1MEN1TSHRKMT2A
SCHEMBL12628468 0.72 LMNA (0.44) ALDH1A1TSHRNAAACYP1A2HPGD
SCHEMBL30175577 0.72 NAAA (0.38) ALDH1A1NAAACYP1A2HPGDCYP2C19
SCHEMBL12956462 0.72 NAAA (0.38) ALDH1A1NAAACYP1A2HPGDCYP2C19

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-0761629-B1 Aliphatic unsaturated compounds and their use as fragrances HAARMANN & REIMER GMBH (DE) 2001-08-01 EP disclosed
US-5756821-A Open-chain olefinically unsaturated compounds, processes for their preparation and their use as aroma substances HAARMANN & REIMER GMBH (DE) 1998-05-26 US disclosed
EP-0761629-A1 Aliphatic unsaturated compounds, process for their preparation as well as their use as fragrances HAARMANN & REIMER GMBH (DE) 1997-03-12 EP disclosed