SCHEMBL7785533

SCHEMBL7785533

CC1C(=O)Oc2c1cccc2C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL30423213 0.81 CA2 (0.34) CA2GABRA1GABRB2
SCHEMBL7778968 0.77 BRD4 (0.38) CA2ALDH1A1TSHR
SCHEMBL7785588 0.75 GABBR2 (0.42) ALDH1A1
SCHEMBL28060084 0.72 MAPT (0.36) CA2GABRA1GABRB2TSHRTRPV1
SCHEMBL7778979 0.71 HTR2B (0.38) ALDH1A1TDP1HTR2B
SCHEMBL7787079 0.71 HSPA5 (0.37) HTR2AHTR2CHTR2B
SCHEMBL7783990 0.69 KDM4E (0.38) ALDH1A1
SCHEMBL28739361 0.67 OPRM1 (0.32)
SCHEMBL28739293 0.67
SCHEMBL11121407 0.67 HPGD (0.45) ALDH1A1TSHR

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