SCHEMBL8460905

SCHEMBL8460905

C=C(CC(=O)O)C(=O)OC(CO)CCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CTSK P43235 1/20 0.33
PRKCA P17252 2/20 0.32
PRKCD Q05655 2/20 0.32
TGFBR1 P36897 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2518232 0.88 PRKCA (0.39) CTSKPRKCAPRKCDALOX15HSD17B10
SCHEMBL5943661 0.86 ALOX15 (0.33) ALOX15HSD17B10
SCHEMBL8462672 0.86 ALOX15 (0.33) MAPTMAPK1TGFBR1ALOX15HSD17B10
SCHEMBL11430759 0.85 CTSK (0.44) MAPK1CTSKPRKCAPRKCDALOX15
Itaconate SCHEMBL28623652 0.81 ALOX15 (0.42) MAPK1CTSKPRKCAPRKCDALOX15
SCHEMBL27990138 0.81 CTSK (0.40) MAPK1CTSKPRKCAPRKCDALOX15
SCHEMBL5175528 0.80 ALOX15 (0.36) CTSKALOX15HSD17B10
SCHEMBL2519756 0.79 FAAH (0.34) ALOX15HSD17B10CHRM1AKR1A1CHRM3
SCHEMBL10396700 0.79 CHRM1 (0.33) ALOX15HSD17B10CHRM1AKR1A1CHRM3
SCHEMBL11049715 0.79 ALDH1A1 (0.41) MAPTMAPK1CTSKPRKCAPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317297-A1 METHODS AND COMPOSITION OF A DENTAL MODEL FOR THE MANUFACTURE OF ORTHODONTIC APPLIANCES WITHOUT THE USE OF SEPARATOR STRUCTO PTE LTD (SG) 2021-10-14 US disclosed
EP-3820398-A1 METHODS AND COMPOSITION OF A DENTAL MODEL FOR THE MANUFACTURE OF ORTHODONTIC APPLIANCES WITHOUT THE USE OF SEPARATOR Structo Pte. Ltd. (SG) 2021-05-19 EP disclosed
US-20130261254-A1 REACTIVE DILUENTS, METHODS OF REACTING, AND THERMOSET POLYMERS DERIVED THEREFROM SEGETIS, INC. (US) 2013-10-03 US disclosed
WO-2013148933-A1 REACTIVE DILUENTS, METHODS OF REACTING, AND THERMOSET POLYMERS DERIVED THEREFROM SEGETIS, INC. (US) 2013-10-03 WO disclosed
EP-0607900-B1 Resin composition for artificial marble, bulk molding compound and sheet molding compound using the same, and process for preparing artificial marble using the same HITACHI CHEMICAL CO LTD (JP) 1999-04-14 EP disclosed
US-5356953-A Resin composition for artificial marble, bulk molding compound and sheet molding compound using the same, and process for preparing artificial marble using the same HITACHI CHEMICAL COMPANY LIMITED (JP) 1994-10-18 US disclosed
EP-0607900-A2 Resin composition for artificial marble, bulk molding compound and sheet molding compound using the same, and process for preparing artificial marble using the same Hitachi Chemical Co., Ltd. (JP) 1994-07-27 EP disclosed