SCHEMBL3974368

SCHEMBL3974368

CC(=CC1CC(C)(C)CC(C)(C)C1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.35
CD81 P60033 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRG2 P18507 1/20 0.31
RXRA P19793 1/20 0.31
GABRB3 P28472 1/20 0.31
RXRB P28702 1/20 0.31
GABRB2 P47870 1/20 0.31
RXRG P48443 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
SCHEMBL3973781 1.00 APLNR (0.35) APLNRCD81ALDH1A1GABRA1TSHR
SCHEMBL208073 0.78 GAA (0.36) CD81ALDH1A1GABRA1TSHRGABRG2
SCHEMBL197543 0.78 GAA (0.36) CD81ALDH1A1GABRA1TSHRGABRG2
SCHEMBL53053 0.78 ALDH1A1 (0.39) APLNRCD81ALDH1A1GABRA1TSHR
SCHEMBL809233 0.78 ALDH1A1 (0.39) APLNRCD81ALDH1A1GABRA1TSHR
SCHEMBL96869 0.77 TSHR (0.34) CD81TSHR
SCHEMBL96868 0.77 TSHR (0.34) CD81TSHR
SCHEMBL17075340 0.77 CD81 (0.30) CD81
SCHEMBL27006699 0.76 GAA (0.34) ALDH1A1
SCHEMBL701151 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882022-B1 AMBIENT CURABLE PROTECTIVE SEALANT LORD CORP (US) 2009-05-06 EP claimed
EP-1504070-B1 ACRYLIC STRUCTURAL ADHESIVE HAVING IMPROVED T-PEEL STRENGTH LORD CORP (US) 2006-12-20 EP claimed