SCHEMBL4902840

SCHEMBL4902840

CC(=CC1(C=C(C)C(=O)O)CCCC(=O)OCCOC1=O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL2123282 0.85
Butyrolactone SCHEMBL22367208 0.72 CA1 (0.48) CA1CA9
SCHEMBL701741 0.69 CA1 (0.55) CA1CA9
SCHEMBL701742 0.69 CA1 (0.55) CA1CA9
SCHEMBL237647 0.68 CA1 (0.46) CA1CA9
SCHEMBL701251 0.67 LMNA (0.51)
Butyrolactone SCHEMBL10999881 0.66 CA1 (0.61) CA1CA9
Bicarbonate SCHEMBL2501163 0.66 CA1 (0.67) CA1CA9
SCHEMBL1396017 0.66 CA1 (0.48) CA1CA9
SCHEMBL10592950 0.65 CA1 (0.43) CA1CA9

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
US-20080311050-A1 Method for Producing Shape Memory Effects in Hair in Connection with Hydrophobic Active Ingredients MNEMOSCIENCE GMBH (DE) 2008-12-18 US claimed
US-20080311050-A1 Method for Producing Shape Memory Effects in Hair in Connection with Hydrophobic Active Ingredients MNEMOSCIENCE GMBH (DE) 2008-12-18 US disclosed