SCHEMBL7785869

SCHEMBL7785869

CC(C)c1ccc2c(c1)C(C)C(=O)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
RNASEH1 O60930 1/20 0.36
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.33
TYR P14679 3/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MDM4 O15151 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL7778988 0.86 PTPN1 (0.38) RNASEH1PTPN1ALDH1A1MEN1KMT2A
SCHEMBL7783609 0.84 HDAC4 (0.39) GAAALDH1A1L3MBTL1HPGDALOX15
SCHEMBL8080973 0.77 ALDH1A1 (0.40) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7785526 0.77 GAA (0.58) GAAALDH1A1KMT2AHPGD
SCHEMBL28500240 0.76 RNASEH1 (0.45) GAARNASEH1ALDH1A1MEN1KMT2A
SCHEMBL17797155 0.75 ALDH1A1 (0.47) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL9062904 0.73 KCNE1 (0.33) GAAPTPN1ALDH1A1
SCHEMBL7783242 0.72 ALDH1A1 (0.48) GAAALDH1A1L3MBTL1MAPTCA2
SCHEMBL7785861 0.72 ALDH1A1 (0.48) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL7785798 0.72 BRD4 (0.40) GAAALDH1A1L3MBTL1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707575-B1 USE OF DIHYDROBENZOFURANONES AS SCENTING INGREDIENTS FIRMENICH & CIE (CH) 2001-10-24 EP disclosed