SCHEMBL7778978

SCHEMBL7778978

CC1C(=O)Oc2cc(-c3ccccc3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.39
GAA P10253 1/20 0.39
CTRC Q99895 1/20 0.38
TNKS2 Q9H2K2 1/20 0.37
PTPN1 P18031 3/20 0.37
PTPN2 P17706 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL15147092 0.76 MAOA (0.45) GAAHDAC4HDAC2HDAC8
SCHEMBL2407012 0.76 MAOA (0.45) GAAHDAC4HDAC2HDAC8
SCHEMBL18952097 0.75 ALDH1A1 (0.46) GAAALDH1A1ALDH2
SCHEMBL6251806 0.75 ALDH1A1 (0.46) GAAALDH1A1ALDH2
SCHEMBL31409184 0.75 ALDH1A1 (0.46) GAAALDH1A1ALDH2
SCHEMBL22172893 0.75 PLA2G2A (0.58) GAATNKS2ALDH1A1ALOX5
SCHEMBL9283252 0.74 MEN1 (0.47) GAAALDH1A1
SCHEMBL7778985 0.74 GAA (0.38) GAAALDH1A1ALDH2
SCHEMBL11058994 0.72 CRHBP (0.48) PTPN1
SCHEMBL10945528 0.71 MAPT (0.39) PGRGAAALDH1A1

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