SCHEMBL2915798

SCHEMBL2915798

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
TRPA1 O75762 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIN1 Q13526 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 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
SCHEMBL27342284 0.80 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28386714 0.79 ALOX15 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1929622 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL3886257 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8857585 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL10709760 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8857584 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1929624 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL3886255 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL12124737 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113966328-B Novel spirobicyclic intermediates 詹森药业有限公司 2025-01-03 CN disclosed
CN-101878309-B Malonate decarboxylases for industrial applications BASF SE (DE) 2016-01-13 CN disclosed
US-20150147800-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2015-05-28 US disclosed
CN-101878309-A Malonate decarboxylases for industrial applications BASF SE 2010-11-03 CN disclosed
EP-2225382-A2 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2010-09-08 EP disclosed
WO-2009068308-A2 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2009-06-04 WO disclosed
EP-0046713-B1 FLUORINATED PENTENE DIAMINE DERIVATIVES MERRELL TORAUDE ET COMPAGNIE (FR) 1985-12-27 EP disclosed
US-4439619-A Fluorinated pentene diamine derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1984-03-27 US disclosed
EP-0046713-A1 Fluorinated pentene diamine derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1982-03-03 EP disclosed