SCHEMBL6279850

SCHEMBL6279850

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.39
SLC7A5 Q01650 1/20 0.39
HSPD1 P10809 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
CPA1 P15085 2/20 0.36
CPT2 P23786 1/20 0.35
ACLY P53396 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 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
SCHEMBL11167647 0.85 RNPEP (0.36) RNPEPSLC7A5CPA1GRM2GRM3
SCHEMBL7031987 0.78 CPT2 (0.38) HSPD1BLMHSPE1CPT2ACLY
SCHEMBL17376951 0.78 RNPEP (0.40) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL28995293 0.76 CPT2 (0.37) RNPEPSLC7A5HSPD1BLMHSPE1
SCHEMBL28570067 0.76 RNPEP (0.39) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL14952784 0.76 RNPEP (0.35) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL6283417 0.76 HSPD1 (0.38) HSPD1BLMHSPE1CPT2ACLY
SCHEMBL3979316 0.75 ACLY (0.57) RNPEPSLC7A5HSPD1BLMHSPE1
SCHEMBL17376873 0.74 RNPEP (0.38) RNPEPSLC7A5CPA1ALDH1A1SLC1A3
SCHEMBL17376845 0.73 RNPEP (0.36) RNPEPSLC7A5CPA1ALDH1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106604935-B Method for producing terminal-modified conjugated diene polymer, rubber composition, and tire 株式会社普利司通 2019-02-22 CN disclosed
CN-106604935-A Method for producing terminal-modified conjugated diene polymer, rubber composition, and tire 株式会社普利司通 2017-04-26 CN disclosed
CN-1229449-C Malic acid diester surfactant AIR PROD & CHEM (US) 2005-11-30 CN disclosed
US-6969738-B2 Malic acid diester surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-11-29 US disclosed
US-20020103280-A1 Malic acid diester surfactants LASSILA KEVIN RODNEY (US) 2002-08-01 US disclosed
US-6369146-B1 AN AQUEOUS ORGANIC COATING COMPRISING A RESIN, SURFACTANT, WETTING AGENT, FLOW AND LEVELING AGENTS AND AN HYDROXY DIALKYL(C3-6) MALEATE; REDUCED EQUILIBRIUM AND DYNAMIC SURFACE TENSION; COATINGS; INKS; ADHESIVES; HERBICIDES AIR PRODUCTS AND CHEMICALS, INC. 2002-04-09 US disclosed
CN-1302833-A Malic acid diester surfactant AIR PROD & CHEM (US) 2001-07-11 CN disclosed
EP-1095988-A2 Malic acid diester surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-05-02 EP disclosed