SCHEMBL9799550

SCHEMBL9799550

O=C(O)C(CC=CO)=C(CC=CO)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL45158 0.75
SCHEMBL9749256 0.75
SCHEMBL462151 0.74 ALDH1A1 (0.36) ALDH1A1CYP2D6ALOX15
SCHEMBL8943586 0.74 ALDH1A1 (0.36) ALDH1A1CYP2D6ALOX15
SCHEMBL87513 0.72
SCHEMBL1644507 0.70 GRIK1 (0.40) ALDH1A1CYP2D6ALOX15
SCHEMBL8664480 0.69 TSHR (0.50) ALDH1A1CYP2D6ALOX15
SCHEMBL8570768 0.69 ABAT (0.32) ALDH1A1CYP2D6ALOX15
SCHEMBL8838158 0.69 ALDH1A1 (0.38) ALDH1A1CYP2D6ALOX15
SCHEMBL8838172 0.69 ALDH1A1 (0.38) ALDH1A1CYP2D6ALOX15

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-0140828-B1 CROSS-LINKED POROUS POLYMERS FOR CONTROLLED DRUG RELEASE CIBA-GEIGY AG (CH) 1991-02-27 EP disclosed
US-4788055-A Resinate sustained release dextromethorphan composition CIBA-GEIGY CORPORATION (US) 1988-11-29 US disclosed
US-4548990-A HIGH DEGREE OF SWELLING IN ORGANIC SOLVENTS CIBA-GEIGY CORPORATION (US) 1985-10-22 US disclosed
EP-0140828-A2 Cross-linked porous polymers for controlled drug release CIBA-GEIGY AG (CH) 1985-05-08 EP disclosed