SCHEMBL9540440

SCHEMBL9540440

CC=CCCCOC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
NR1I2 O75469 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.38
FAAH O00519 3/20 0.37
EPHX2 P34913 2/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TERT O14746 3/20 0.35
PTPN1 P18031 3/20 0.35
PPARG P37231 3/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
BLM P54132 2/20 0.35

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
SCHEMBL7590884 0.92 EPHX2 (0.44) PGRADORA3FAAHEPHX2MAPT
SCHEMBL9541032 0.86
SCHEMBL9579034 0.86 NR1I2 (0.38) PGRADORA3NR1I2PTGS2PDE4D
SCHEMBL14775484 0.84 ALDH1A1 (0.40) PGRADORA3NR1I2PTGS2PDE4D
SCHEMBL9540436 0.83 NR1I2 (0.38) PGRADORA3NR1I2PTGS2PDE4D
SCHEMBL7555801 0.83 ALDH1A1 (0.52) PGRADORA3NR1I2PTGS2PDE4D
SCHEMBL31548 0.83 ALDH1A1 (0.52) PGRADORA3NR1I2PTGS2PDE4D
SCHEMBL9540438 0.83 NR1I2 (0.38) PGRADORA3NR1I2PTGS2PDE4D
SCHEMBL9782649 0.83 ALDH1A1 (0.52) PGRADORA3NR1I2PTGS2PDE4D
SCHEMBL999551 0.81 ADORA3 (0.53) PGRADORA3NR1I2PTGS2PDE4D

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
EP-3122789-A1 9,10-BIS(1,3-DITHIOL-2-YLIDENE)-9,10-DIHYDROANTHRACENE POLYMERS AND USE THEREOF Evonik Degussa GmbH (DE) 2017-02-01 EP disclosed
WO-2015144798-A1 9,10-BIS(1,3-DITHIOL-2-YLIDENE)-9,10-DIHYDROANTHRACENE POLYMERS AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2015-10-01 WO disclosed
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed