SCHEMBL4450853

SCHEMBL4450853

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.42
CYP1A2 P05177 1/20 0.42
FOLH1 Q04609 2/20 0.37
NAALAD2 Q9Y3Q0 2/20 0.37
ENPEP Q07075 2/20 0.37
BLM P54132 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
ACE2 Q9BYF1 1/20 0.34
LTA4H P09960 1/20 0.33

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
SCHEMBL25660349 0.84 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL16749901 0.81 GABRR1 (0.44) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL5539684 0.81 GABRR1 (0.44) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL250969 0.81 GABRR1 (0.44) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL22396499 0.79 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL17198278 0.78 GABRR1 (0.38) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL28255843 0.78 ALDH1A1 (0.40) ALDH1A1TP53TSHRHMGCRCHRM1
SCHEMBL15905686 0.77 GABRR1 (0.41) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL4377120 0.77 GABRR1 (0.41) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL1131815 0.77 CYP1A2 (0.46) GABRR1CYP1A2FOLH1NAALAD2ENPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592055-B2 Moisture-permeable waterproof film, composite material, and processes for producing these TORAY INDUSTRIES, INC. (JP) 2009-09-22 US disclosed
US-20070036983-A1 For outdoor wear for fishing and mountaineering, ski wears, windbreakers, athletic wear, golf wear, tennis wear, rain wear, casual coats, outdoor work clothes, gloves and shoes TORAY INDUSTRIES, INC. (JP) 2007-02-15 US disclosed
EP-1591471-A1 MOISTURE-PERMEABLE WATERPROOF FILM, COMPOSITE MATERIAL, AND PROCESSES FOR PRODUCING THESE TORAY INDUSTRIES, INC. (JP) 2005-11-02 EP disclosed
EP-0229999-B1 ISOCYANATE FREE POLYURETHANE DISPERSIONS HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-24 EP disclosed
US-4758475-A Isocyanate-free polyurethane dispersions HOECHST AG (DE) 1988-07-19 US disclosed
EP-0229999-A2 Isocyanate free polyurethane dispersions HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-29 EP disclosed