SCHEMBL7784008

SCHEMBL7784008

Cc1ccc2c(c1)OC(=O)C2(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.37
ALDH1A1 P00352 2/20 0.36
ALDH2 P05091 1/20 0.36
GAA P10253 1/20 0.36
MMP12 P39900 1/20 0.35
MAOB P27338 7/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MAOA P21397 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 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
SCHEMBL17371259 0.85 GAA (0.39) CYP19A1ALDH1A1ALDH2GAAMMP12
SCHEMBL7521829 0.84 LMNA (0.36) CYP19A1ALDH1A1ALDH2GAAMAOB
SCHEMBL23574934 0.79 AHR (0.42) CYP19A1MAOALMNA
SCHEMBL7784016 0.79 CNR1 (0.33) CYP19A1ALDH1A1ALDH2MMP12MAOB
SCHEMBL2756742 0.77 MAPT (0.34) CYP19A1ALDH1A1ALDH2GAAMMP12
SCHEMBL7783605 0.77 HPGD (0.39) ALDH1A1GAACA9LMNA
SCHEMBL7783614 0.76 CNR1 (0.34) CYP19A1ALDH1A1MMP12MAOBMAOA
SCHEMBL9188748 0.76 LMNA (0.41) CYP19A1ALDH1A1ALDH2GAAMAOB
SCHEMBL11743699 0.74 ELANE (0.40) CYP19A1ALDH1A1MAOBMAOACA9
SCHEMBL22991300 0.74 LMNA (0.31) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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