SCHEMBL6283417

SCHEMBL6283417

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CPT2 P23786 1/20 0.32
ACLY P53396 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
SCHEMBL31635362 0.78
SCHEMBL28808038 0.78 ACLY (0.52) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL6279850 0.76 RNPEP (0.39) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL7031987 0.74 CPT2 (0.38) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL31635294 0.72
SCHEMBL13211396 0.72 CA2 (0.32)
SCHEMBL5718442 0.70 ALDH1A1 (0.33) ACLY
SCHEMBL3394206 0.69 HSPD1 (0.47) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL891403 0.69 HSPD1 (0.44) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL315984 0.69 HSPD1 (0.44) HSPD1BLMHSPE1MEN1HPGD

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-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
EP-1095988-A2 Malic acid diester surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-05-02 EP disclosed