SCHEMBL7787079

SCHEMBL7787079

CCc1cc2c(c(C(C)(C)C)c1)OC(=O)C2C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.37
HTR2A P28223 5/20 0.32
HTR2C P28335 5/20 0.32
HTR2B P41595 5/20 0.32
CYP3A4 P08684 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
SCHEMBL7785588 0.80 GABBR2 (0.42)
SCHEMBL9356078 0.75 HSPA5 (0.36) HSPA5
SCHEMBL7785533 0.71 CA2 (0.35) HTR2AHTR2CHTR2B
SCHEMBL12316045 0.70 HSPA5 (0.33) HSPA5
SCHEMBL1232097 0.69 GABBR2 (0.37)
SCHEMBL7785798 0.68 BRD4 (0.40)
SCHEMBL19909636 0.67 GAA (0.37)
SCHEMBL10162452 0.66 GABBR2 (0.35)
SCHEMBL7676603 0.66 GABBR2 (0.35)
SCHEMBL2177579 0.66 HSPA5 (0.53) HSPA5CYP3A4

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 1 patent. 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