SCHEMBL5679357

SCHEMBL5679357

C=CCc1cc(-c2cccc(C(=O)O)c2O)c(O)c(C(=O)O)c1CC=C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
HNF4A P41235 1/20 0.42
AKR1B1 P15121 1/20 0.39
HMGB1 P09429 1/20 0.37
FOLH1 Q04609 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALB P02768 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP2 P08253 1/20 0.35
PTPN1 P18031 2/20 0.34
PTPN6 P29350 2/20 0.34
EP300 Q09472 1/20 0.34
KAT2B Q92831 1/20 0.34
KAT5 Q92993 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34

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
SCHEMBL7119157 0.83 GABRA1 (0.57) GABRA1GABRB2HNF4AAKR1B1HMGB1
SCHEMBL3264280 0.80 GABRA1 (0.60) GABRA1GABRB2HNF4AAKR1B1HMGB1
SCHEMBL28177736 0.76 GABRA1 (0.46) GABRA1GABRB2HNF4AAKR1B1HMGB1
SCHEMBL497955 0.75 ALDH1A1 (0.42) ALDH1A1MAPTPOLBKDM4EHPGD
SCHEMBL29182577 0.75 FOLH1 (0.47) GABRA1GABRB2FOLH1ALDH1A1MAPT
SCHEMBL30733380 0.75 FOLH1 (0.47) GABRA1GABRB2FOLH1ALDH1A1MAPT
SCHEMBL40309 0.75 GABRA1 (0.59) GABRA1GABRB2HNF4AAKR1B1HMGB1
SCHEMBL30365997 0.75 GABRA1 (0.59) GABRA1GABRB2HNF4AAKR1B1HMGB1
SCHEMBL5178996 0.73 GAA (0.38) GABRA1GABRB2HMGB1ALDH1A1MAPT
SCHEMBL9615189 0.73 GABRA1 (0.58) GABRA1GABRB2HNF4AAKR1B1HMGB1

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-1430950-B1 Hydroformylation of unsaturated compounds using polymeric phosphite ligands INVISTA TECH SARL (US) 2006-02-22 EP claimed
EP-1225978-B1 HYDROFORMYLATION OF UNSATURATED COMPOUNDS USING POLYMERIC PHOSPHITE LIGANDS INVISTA TECH SARL (US) 2005-03-16 EP claimed
EP-1216268-B1 POLYMERIC PHOSPHITE COMPOSITION AND HYDROCYANATION OF UNSATURATED ORGANIC COMPOUNDS AND THE ISOMERIZATION OF UNSATURATED NITRILES DU PONT (US) 2003-11-12 EP claimed