SCHEMBL588176

SCHEMBL588176

C=CC[C@]1(C(=O)O)CCCC[C@]1(CC=C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.35

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
SCHEMBL588177 1.00 MEN1 (0.38) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL588178 1.00 MEN1 (0.38) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL28018588 0.88 MEN1 (0.35) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL29352689 0.80 ALDH1A1 (0.32) MEN1KMT2AALDH1A1POLB
SCHEMBL11634222 0.77 CYP2C19 (0.50) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL10819062 0.76 CPT1A (0.33) MEN1KMT2AALDH1A1POLB
SCHEMBL23071454 0.76 MEN1 (0.31) MEN1KMT2AALDH1A1POLB
SCHEMBL9785044 0.76
SCHEMBL9785025 0.76
SCHEMBL2005168 0.76 CYP2C19 (0.54) MEN1KMT2AALDH1A1POLBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465848-B1 MIXTURE OF ALICYCLIC POLYCARBOXYLIC ACID ESTERS HAVING A HIGH CIS ISOMER CONTENT EVONIK OXENO GMBH (DE) 2013-08-14 EP disclosed
EP-1463710-B2 METHOD FOR THE PRODUCTION OF ALICYCLIC POLYCARBOXYLIC ACID ESTER MIXTURES WITH A HIGH TRANS PROPORTION EVONIK OXENO GMBH (DE) 2012-02-15 EP disclosed
EP-1463710-B1 ALICYCLIC POLYCARBOXYLIC ACID ESTER MIXTURES WITH A HIGH TRANS PROPORTION AND METHOD FOR THE PRODUCTION THEREOF EVONIK OXENO GMBH (DE) 2008-06-25 EP disclosed
EP-1430015-B1 METHOD FOR THE PRODUCTION OF ALICYCLIC POLYCARBOXYLIC ACID ESTERS FROM PARTIAL ESTERS OF AROMATIC POLYCARBOXYLIC ACIDS OXENO OLEFINCHEMIE GMBH (DE) 2007-08-01 EP disclosed