SCHEMBL7057738

SCHEMBL7057738

CCCOC(=O)OCCC.CCOC(=O)OCC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.72
SOAT1 P35610 1/20 0.57
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
HCAR2 Q8TDS4 2/20 0.43
TRPA1 O75762 1/20 0.40
TSHR P16473 2/20 0.39
ESR1 P03372 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
KDR P35968 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL137153 1.00
Fluoride SCHEMBL29068335 0.97 ALDH1A1 (0.68) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL26267545 0.97 ALDH1A1 (0.68) ALDH1A1SOAT1LMNAHSD17B10ALOX15
Bicarbonate SCHEMBL28320274 0.95 ALDH1A1 (0.65) ALDH1A1SOAT1LMNAHSD17B10ALOX15
Bicarbonate SCHEMBL28320275 0.95 ALDH1A1 (0.65) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL17057 0.91 ALDH1A1 (0.56) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL2034039 0.91 ALDH1A1 (0.59) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL20280980 0.91 ALDH1A1 (0.59) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL8721274 0.91 ALDH1A1 (0.59) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL11770607 0.90 ALDH1A1 (0.57) ALDH1A1SOAT1LMNAHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017051363-A1 PROCESS FOR THE PREPARATION OF ORGANIC CARBONATE DERIVATES Alma Mater Studiorum - Università di Bologna (IT) 2017-03-30 WO disclosed
EP-2641867-A1 Method of preparing carbon nanotube-olivine type lithium manganese phosphate composites and lithium secondary battery using the same Samsung Corning Precision Materials Co., Ltd. (KR) 2013-09-25 EP disclosed
WO-2003027378-A1 DYE REMOVAL FROM DENIM SCRAP WITH A FORCED CIRCULATION KIER ENVIRONMENT TEXTILES USA, INC. (US) 2003-04-03 WO disclosed