SCHEMBL7783609

SCHEMBL7783609

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CYP2C9 P11712 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL7785869 0.84 GAA (0.36) HDAC4HDAC2HDAC8GAAALDH1A1
SCHEMBL7785798 0.74 BRD4 (0.40) GAAALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL7785526 0.72 GAA (0.58) GAAALDH1A1HPGD
SCHEMBL7778988 0.71 PTPN1 (0.38) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL17797155 0.70 ALDH1A1 (0.47) GAAALDH1A1USP2HPGDHSD17B10
SCHEMBL14177748 0.70 HDAC4 (0.42) HDAC4HDAC2HDAC8GAAALDH1A1
SCHEMBL7783996 0.70 MAPK1 (0.42) GAAALDH1A1PKMHPGDNPSR1
SCHEMBL7783242 0.68 ALDH1A1 (0.48) GAAALDH1A1HPGDALOX15HSD17B10
SCHEMBL10945614 0.66 IGLV6-57 (0.30)
SCHEMBL13397789 0.66 HDAC4 (0.47) HDAC4HDAC2HDAC8GAAALDH1A1

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 8 patents. 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 claimed
US-5679634-A Use of dihydrobenzofuranones as perfuming ingredients FIRMENICH S.A. (CH) 1997-10-21 US claimed
EP-0707575-A1 USE OF DIHYDROBENZOFURANONES AS SCENTING INGREDIENTS FIRMENICH SA (CH) 1996-04-24 EP claimed
WO-1995030667-A1 USE OF DIHYDROBENZOFURANONES AS SCENTING INGREDIENTS FIRMENICH S.A. (CH) 1995-11-16 WO claimed
EP-0707575-B1 USE OF DIHYDROBENZOFURANONES AS SCENTING INGREDIENTS FIRMENICH & CIE (CH) 2001-10-24 EP disclosed
US-5679634-A Use of dihydrobenzofuranones as perfuming ingredients FIRMENICH S.A. (CH) 1997-10-21 US disclosed
EP-0707575-A1 USE OF DIHYDROBENZOFURANONES AS SCENTING INGREDIENTS FIRMENICH SA (CH) 1996-04-24 EP disclosed
WO-1995030667-A1 USE OF DIHYDROBENZOFURANONES AS SCENTING INGREDIENTS FIRMENICH S.A. (CH) 1995-11-16 WO disclosed