SCHEMBL991606

SCHEMBL991606

C/C=C\OCCOC(=O)/C=C/C(=O)OCCO/C=C\C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
HCAR2 Q8TDS4 7/20 0.45
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 5/20 0.35
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
HPGD P15428 1/20 0.32
MET P08581 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 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
SCHEMBL991608 1.00 ATM (0.48) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL5973818 1.00 ATM (0.48) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL5973231 1.00 ATM (0.48) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL5973821 1.00 ATM (0.48) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL991607 0.92 HCAR2 (0.58) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL991610 0.92 HCAR2 (0.58) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL7208965 0.83 TSHR (0.57) ATMHCAR2TSHRALDH1A1TP53
SCHEMBL9636198 0.83 TSHR (0.57) ATMHCAR2TSHRALDH1A1TP53
SCHEMBL9484321 0.81 ATM (0.56) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL9484325 0.81 ATM (0.56) ATMHCAR2MAPTRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8475938-B2 Organic electroluminescent element, lighting device and display device KONICA MINOLTA HOLDINGS, INC. (JP) 2013-07-02 US disclosed
US-20110017988-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE AND DISPLAY DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-27 US disclosed
EP-0957079-B1 ETHER COMPOUNDS AND PROCESS FOR PRODUCING THE SAME SHOWA DENKO KK (JP) 2006-12-27 EP disclosed
US-6376702-B1 A 1-ALKENYL ETHER SHOWA DENKO K.K. (JP) 2002-04-23 US disclosed
US-6204410-B1 FOR FREE RADICAL POLYMERIZATION SHOWA DENKO KABUSHIKI KAISHA (JP) 2001-03-20 US disclosed
EP-0957079-A1 NEW ETHER COMPOUNDS AND PROCESS FOR PRODUCING THE SAME Showa Denko Kabushiki Kaisha (JP) 1999-11-17 EP disclosed