SCHEMBL7785829

SCHEMBL7785829

CCCCC1(C)C(=O)Oc2cc(C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CRHBP P24387 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 8/20 0.36
CNR2 P34972 8/20 0.36
TRPA1 O75762 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
TRPV3 Q8NET8 2/20 0.36
TRPV4 Q9HBA0 2/20 0.36
TRPV2 Q9Y5S1 2/20 0.36
CYP1A1 P04798 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
SCHEMBL7783614 0.91 CNR1 (0.34) PPARGHTTMEN1CYP3A4CYP2D6
SCHEMBL7784016 0.84 CNR1 (0.33) PPARGHTTMEN1CYP3A4KMT2A
SCHEMBL7787072 0.82 RORA (0.34)
SCHEMBL7784008 0.74 CYP19A1 (0.37) ALDH1A1LMNA
SCHEMBL27359120 0.72 HTT (0.36) PPARGHTTMEN1CYP3A4CYP2D6
SCHEMBL7785584 0.72 HPGD (0.34)
SCHEMBL11737823 0.70 CYP2C9 (0.42) MEN1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4580837 0.68 HTT (0.35) PPARGHTTMEN1CYP3A4CYP2D6
SCHEMBL20879871 0.66 KMT2A (0.36) MEN1CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL27990757 0.66 PTPN1 (0.34) HTTMEN1KMT2A

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