SCHEMBL689651

SCHEMBL689651

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.44
HSPD1 P10809 1/20 0.44
HSPE1 P61604 1/20 0.44
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CPT2 P23786 1/20 0.34
ACLY P53396 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 1/20 0.30

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
SCHEMBL6284476 0.83 BLM (0.50) BLMHSPD1HSPE1MEN1HPGD
SCHEMBL31648559 0.83 BLM (0.63) BLMHSPD1HSPE1MEN1HPGD
SCHEMBL31003956 0.77 SLC1A3 (0.33) BLMHSPD1HSPE1SLC1A3SLC1A2
SCHEMBL28032714 0.74 SLC1A3 (0.31) SLC1A3SLC1A2SLC1A1
SCHEMBL28907548 0.73 SLC1A3 (0.33) BLMSLC1A3SLC1A2SLC1A1
SCHEMBL19333174 0.73 SLC1A3 (0.41) BLMSLC1A3SLC1A2SLC1A1CA1
SCHEMBL1309987 0.72 HSPD1 (0.63) BLMHSPD1HSPE1MEN1HPGD
SCHEMBL3136381 0.72 SLC1A3 (0.32) BLMSLC1A3SLC1A2SLC1A1
SCHEMBL27243091 0.72 BLM (0.77) BLMHSPD1HSPE1MEN1HPGD
SCHEMBL1542449 0.72 BLM (0.77) BLMHSPD1HSPE1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288416-B2 HYDROALCOHOLIC GEL COMPOSITIONS FOR USE WITH DISPENSERS GOJO IND INC (US) 2014-12-24 EP claimed
EP-2288416-B1 HYDROALCOHOLIC GEL COMPOSITIONS FOR USE WITH DISPENSERS GOJO IND INC (US) 2012-02-29 EP claimed
CN-110075069-A Include activating agent-calcium phosphate granules compound dermal delivery composition and its application 实验室护肤股份有限公司 2019-08-02 CN disclosed
CN-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 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