SCHEMBL7784016

SCHEMBL7784016

CCC1(C)C(=O)Oc2cc(C)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
TRPA1 O75762 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
TRPV3 Q8NET8 2/20 0.33
TRPV4 Q9HBA0 2/20 0.33
TRPV2 Q9Y5S1 2/20 0.33
PPARG P37231 1/20 0.33
MMP12 P39900 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CYP19A1 P11511 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7783614 0.87 CNR1 (0.34) CNR1CNR2TRPA1TRPV1TRPV3
SCHEMBL7785829 0.84 PPARG (0.38) CNR1CNR2TRPA1TRPV1TRPV3
SCHEMBL7784002 0.80 HPGD (0.35) MEN1KMT2A
SCHEMBL7784008 0.79 CYP19A1 (0.37) MMP12ALDH1A1CA12CA9MAOA
SCHEMBL7521829 0.70 LMNA (0.36) CNR1CNR2TRPA1TRPV1TRPV3
SCHEMBL17371259 0.68 GAA (0.39) MMP12ALDH1A1CYP19A1LMNAMEN1
SCHEMBL7785584 0.68 HPGD (0.34)
SCHEMBL25805362 0.68 AKR1B1 (0.43) MMP12ALDH1A1MEN1HTTKMT2A
SCHEMBL13825600 0.68 AKR1B1 (0.43) MMP12ALDH1A1MEN1HTTKMT2A
SCHEMBL8561411 0.68 KDM4E (0.53) MMP12ALDH1A1CA12CA9CYP19A1

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 4 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 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