SCHEMBL8395993

SCHEMBL8395993

CC/C=C/CCc1cccc(C(=O)O)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.62
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
BID P55957 3/20 0.43
BCL2L1 Q07817 3/20 0.43
MCL1 Q07820 3/20 0.43
BAK1 Q16611 3/20 0.43
F7 P08709 3/20 0.43
F3 P13726 3/20 0.43
MMP2 P08253 3/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ECE1 P42892 1/20 0.43
SGMS1 Q86VZ5 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
MUS81 Q96NY9 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
ALB P02768 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
SCHEMBL16240898 1.00 HMGB1 (0.62) HMGB1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL235534 1.00 HMGB1 (0.62) HMGB1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL31354821 1.00 HMGB1 (0.62) HMGB1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL5056707 0.91 ALDH1A1 (0.52) HMGB1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL2817104 0.86 FOLH1 (0.54) HMGB1KDM4EHSD17B10ALDH1A1BID
SCHEMBL2817110 0.86 FOLH1 (0.54) HMGB1KDM4EHSD17B10ALDH1A1BID
SCHEMBL23748665 0.85 HMGB1 (0.43) HMGB1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL30853556 0.85 HMGB1 (0.46) HMGB1KDM4EHSD17B10ALDH1A1BID
SCHEMBL7950463 0.84 G6PD (0.47) HMGB1KDM4EHSD17B10ALDH1A1BID
SCHEMBL18604012 0.84 G6PD (0.47) HMGB1KDM4EHSD17B10ALDH1A1BID

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-0761808-B1 Use of substituted lactones as perfuming agent HAARMANN & REIMER GMBH (DE) 1999-05-19 EP disclosed
EP-0761808-A2 Use of substituted lactones as perfuming agent HAARMANN & REIMER GMBH (DE) 1997-03-12 EP disclosed
EP-0094722-B1 10-ISOPROPYL-2,7-DIMETHYL-1-OXASPIRO(4.5)DECA-3,6-DIENE, ITS USE IN PERFUMES AND AROMAS NAARDEN INTERNATIONAL N.V. (NL) 1986-02-26 EP disclosed
EP-0094722-A1 10-Isopropyl-2,7-dimethyl-1-oxaspiro(4.5)deca-3,6-diene, its use in perfumes and aromas NAARDEN INTERNATIONAL N.V. (NL) 1983-11-23 EP disclosed