SCHEMBL8943586

SCHEMBL8943586

CC=CC/C(C(=O)O)=C(\CC=CC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
THRB P10828 1/20 0.32
PGGT1B P53609 1/20 0.32

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
SCHEMBL14193721 0.93 FNTA (0.35) ALDH1A1CYP2D6ALOX15FNTAFNTB
SCHEMBL12339909 0.93 FNTA (0.35) ALDH1A1CYP2D6ALOX15FNTAFNTB
SCHEMBL13742102 0.93 FNTA (0.35) ALDH1A1CYP2D6ALOX15FNTAFNTB
SCHEMBL8229595 0.89 ABCC4 (0.30) FNTAFNTB
SCHEMBL13742103 0.89 FNTA (0.30) FNTAFNTB
SCHEMBL13745962 0.87 FNTA (0.33) FNTAFNTBTHRBPGGT1B
SCHEMBL17926323 0.85 FNTA (0.46) ALDH1A1CYP2D6ALOX15FNTAFNTB
SCHEMBL17926322 0.85 FNTA (0.46) ALDH1A1CYP2D6ALOX15FNTAFNTB
SCHEMBL18962173 0.85
SCHEMBL29176636 0.80 PPARG (0.31) GRIK1GRIK2

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
US-5576054-A ULTRAVIOLET RESISTANT OPAQUE GLASS COATING GENERAL ELECTRIC COMPANY (US) 1996-11-19 US disclosed
EP-0234720-B1 SILICONE RUBBER COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 1991-09-18 EP disclosed
EP-0234720-A1 Silicone rubber compositions GENERAL ELECTRIC COMPANY (US) 1987-09-02 EP disclosed
US-3941741-A POLYSILOXANE GENERAL ELECTRIC COMPANY (US) 1976-03-02 US disclosed