SCHEMBL1719124

SCHEMBL1719124

CCC1(OC(=O)CC(=O)O)C2(C)CCC(C2)C1(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 1/20 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
SCHEMBL1719122 1.00 ALDH1A1 (0.32) ALDH1A1EPHX2
SCHEMBL29927650 0.87 KDM4E (0.33) ALDH1A1
SCHEMBL11965873 0.82 ALOX15 (0.33) ALDH1A1
SCHEMBL10540652 0.78 HCAR2 (0.35) ALDH1A1
SCHEMBL2828538 0.78
SCHEMBL14915031 0.78
SCHEMBL4733294 0.73 PRKD3 (0.42)
SCHEMBL13225627 0.69 OPRM1 (0.33) ALDH1A1EPHX2
Acetic Acid SCHEMBL189531 0.66 CTDSP1 (0.38) ALDH1A1
SCHEMBL26939202 0.66 HSD11B1 (0.35)

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-2167024-B1 COOLING COMPOUNDS GIVAUDAN SA (CH) 2012-01-11 EP claimed
EP-2167024-B1 COOLING COMPOUNDS GIVAUDAN SA (CH) 2012-01-11 EP disclosed
US-7959958-B2 Cooling compounds Givaudan, S.A. (CH) 2011-06-14 US disclosed