SCHEMBL7739136

SCHEMBL7739136

CC(C)CC(=O)Oc1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
GAA P10253 3/20 0.47
JAK2 O60674 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
CA1 P00915 2/20 0.45
CA2 P00918 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MIF P14174 1/20 0.41

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
SCHEMBL16756208 0.88 ALOX15 (0.59) ALOX15LMNAMAPTTSHRKDM4E
SCHEMBL18887952 0.83 ESR1 (0.54) ALOX15GAAJAK2MAPTCA1
SCHEMBL4084650 0.81 MAPT (0.54) ALOX15LMNAMAPTCA1CA2
SCHEMBL21598307 0.81 TDP1 (0.54) ALOX15KDM4EALDH1A1HTTHPGD
SCHEMBL15548138 0.81 ALOX15 (0.53) ALOX15LMNATSHRKDM4EALDH1A1
SCHEMBL23318134 0.81 ALOX15 (0.45) ALOX15CA1CA2ALDH1A1HTT
SCHEMBL15548518 0.81 ALOX15 (0.53) ALOX15MAPTKDM4EALDH1A1HSD17B10
SCHEMBL361508 0.81 GAA (0.50) ALOX15GAAJAK2LMNAMAPT
SCHEMBL688269 0.80 GAA (0.54) GAAJAK2LMNAMAPTCA1
SCHEMBL688754 0.80 GAA (0.54) GAAJAK2LMNAMAPTCA1

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
CN-1145633-C Hydroformylation using multidentate phosphite ligands ��Ļ���Ű˾ 2004-04-14 CN disclosed
CN-1374965-A Hydroformylation using multidentate phosphite ligands DU PONT (US) 2002-10-16 CN disclosed
US-6399534-B2 CATALYTIC HYDROFORMYLATION E. I. DU PONT DE NEMOURS AND COMPANY (DE) 2002-06-04 US disclosed