SCHEMBL5843377

SCHEMBL5843377

C=C(C)C(=O)OCCO.C=C(C=Cc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
GLA P06280 1/20 0.44
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
LMNA P02545 2/20 0.40
HAO1 Q9UJM8 1/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39

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
Cinnamic Acid SCHEMBL28185054 0.89 HDAC3 (0.53) TDP1GLAAKR1B10AKR1B1LMNA
SCHEMBL10906541 0.89 POLB (0.44) TDP1GLAAKR1B10AKR1B1LMNA
SCHEMBL10771896 0.87 TDP1 (0.46) TDP1GLAALDH1A1HDAC3POLB
SCHEMBL11047711 0.86 AKR1B10 (0.48) TDP1GLAAKR1B10AKR1B1LMNA
SCHEMBL7205677 0.85 TDP1 (0.41) TDP1GLAAKR1B10AKR1B1LMNA
SCHEMBL10906572 0.85 TSHR (0.53) TDP1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL17746677 0.84 MAPT (0.47) TDP1GLAAKR1B10AKR1B1LMNA
SCHEMBL2456211 0.83 AKR1B10 (0.40) TDP1GLAAKR1B10AKR1B1LMNA
Styrene SCHEMBL28447649 0.82 TDP1 (0.41) TDP1GLALMNAALDH1A1MAPT
SCHEMBL35899 0.82 POLB (0.47) TDP1GLALMNAALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7018773-B2 Capable of forming an image by a computer to plate (CTP) system; printability, scratch resistance, and exposure image visualization, as a processless printing plate material KONICA CORPORATION (JP) 2006-03-28 US disclosed
US-6895860-B2 Planographic printing plate precursor and its fixing method on plate cylinder KONICA CORPORATION (JP) 2005-05-24 US disclosed
US-6796236-B2 FLEXIBLE SUBSTRATE, INK REPELLENT OR HYDROPHILIC LAYER, AND A LIGHT HEAT CONVERSION MATERIAL CONTAINING A THERMOPLASTIC; DOES NOT REQUIRE A SPECIAL DEVELOPING AGENT; INFRARED LIGHT CARRIES OUT EXPOSURE AND FIXING KONICA CORPORATION (JP) 2004-09-28 US disclosed
US-6596462-B2 Computer to plate images, water-soluble and insoluble layers; high resolving power; wear resistance; handling KONICA CORPORATION (JP) 2003-07-22 US disclosed