SCHEMBL30853556

SCHEMBL30853556

CC/C=C\CCOC(=O)c1ccccc1O.CC/C=C\CCc1cccc(C(=O)O)c1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
BID P55957 3/20 0.38
BCL2L1 Q07817 3/20 0.38
MCL1 Q07820 3/20 0.38
BAK1 Q16611 3/20 0.38
MMP2 P08253 2/20 0.38
F7 P08709 2/20 0.38
F3 P13726 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ECE1 P42892 1/20 0.38
SGMS1 Q86VZ5 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
MUS81 Q96NY9 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL30355344 0.89 ALDH1A1 (0.42) HMGB1TDP1KDM4EHSD17B10ALDH1A1
Salicylic Acid SCHEMBL1868664 0.87 TDP1 (0.55) HMGB1TDP1KDM4EALOX15HSD17B10
SCHEMBL111557 0.85 TDP1 (0.61) TDP1ALOX15HSD17B10ALDH1A1
SCHEMBL16240898 0.85 HMGB1 (0.62) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL8395993 0.85 HMGB1 (0.62) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL31354821 0.85 HMGB1 (0.62) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL397286 0.85 TDP1 (0.61) TDP1ALOX15HSD17B10ALDH1A1
SCHEMBL235534 0.85 HMGB1 (0.62) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL111558 0.85 TDP1 (0.61) TDP1ALOX15HSD17B10ALDH1A1
SCHEMBL30367352 0.85 TDP1 (0.61) TDP1ALOX15HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720936-B1 3,7-DIMETHYLOCT-6-EN-1-YL METHYL CARBONATE AS PERFUME INGREDIENT GIVAUDAN SA (CH) 2024-08-14 EP disclosed
US-11944727-B2 Air freshening device GIVAUDAN SA (CH) 2024-04-02 US disclosed