SCHEMBL7783606

SCHEMBL7783606

CCc1ccc2c(c1)OC(=O)C2C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
TRPA1 O75762 1/20 0.37
PARP1 P09874 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
HSD17B4 P51659 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.34
MGLL Q99685 1/20 0.33
ATM Q13315 1/20 0.33
MIF P14174 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
SCHEMBL7785798 0.86 BRD4 (0.40) BRD4TRPA1PARP1ALDH1A1LMNA
SCHEMBL17693687 0.83 NPC1 (0.38) BRD4TRPA1PARP1HSD17B1HSD17B2
SCHEMBL27594417 0.81 BRD4 (0.40) BRD4PARP1HSD17B1HSD17B2HSD17B4
SCHEMBL31409184 0.77 ALDH1A1 (0.46) BRD4HSD17B1HSD17B2ALDH1A1MAPT
SCHEMBL18952097 0.77 ALDH1A1 (0.46) BRD4HSD17B1HSD17B2ALDH1A1MAPT
SCHEMBL6251806 0.77 ALDH1A1 (0.46) BRD4HSD17B1HSD17B2ALDH1A1MAPT
SCHEMBL9283252 0.75 MEN1 (0.47) BRD4ALDH1A1MAPT
SCHEMBL22795922 0.75 PARP1 (0.39) BRD4TRPA1PARP1ALDH1A1LMNA
SCHEMBL7783608 0.73 CNR1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2MGLL
SCHEMBL7785586 0.72 ALDH1A1 (0.39) ALDH1A1LMNAL3MBTL1NPC1MAPT

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