SCHEMBL8971701

SCHEMBL8971701

CCCCCCCCC=CC(O)CCC(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
EPHX2 P34913 1/20 0.51
PPARG P37231 2/20 0.50
ASAH2 Q9NR71 1/20 0.50
GPR132 Q9UNW8 1/20 0.50
THRB P10828 1/20 0.48
CETP P11597 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
ALOX5 P09917 2/20 0.47
OXER1 Q8TDS5 1/20 0.47

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
SCHEMBL20397370 1.00 ALDH1A1 (0.52) ALDH1A1TP53EPHX2PPARGASAH2
SCHEMBL29536611 0.91 PPARG (0.58) ALDH1A1TP53EPHX2PPARGASAH2
SCHEMBL8971889 0.86 DGKA (0.52) ALDH1A1PPARGGPR132TDP1
SCHEMBL8971883 0.86 DGKA (0.52) ALDH1A1PPARGGPR132TDP1
SCHEMBL18907111 0.84 EPHX2 (0.58) ALDH1A1TP53EPHX2ASAH2THRB
SCHEMBL18398889 0.82 PPARG (0.66) PPARGGPR132KMT2ATDP1
SCHEMBL31359284 0.81 PPARG (0.73) PPARGGPR132MEN1KMT2AALOX5
SCHEMBL10695303 0.81 TRPA1 (0.56) ALDH1A1PPARGGPR132
SCHEMBL10695309 0.81 TRPA1 (0.56) ALDH1A1PPARGGPR132
SCHEMBL22625597 0.80 FFAR1 (0.61) EPHX2ALOX5OXER1

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-0435293-B1 Methods of producing optically active hydroxyesters NITTO DENKO CORP (JP) 1996-03-20 EP disclosed
US-5272069-A Method of producing optically active hydroxyesters NITTO DENKO CO. LTD. (JP) 1993-12-21 US disclosed
EP-0435293-A2 Methods of producing optically active hydroxyesters Nitto Denko Co. Ltd. (JP) 1991-07-03 EP disclosed