SCHEMBL6357871

SCHEMBL6357871

CC#CC(=O)O.OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.37
CYP1A2 P05177 2/20 0.37
FABP5 Q01469 3/20 0.37
FABP7 O15540 2/20 0.37
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
KMT2A Q03164 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 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
Acetic Acid SCHEMBL28553657 0.83 POLB (0.48) HTR2APOLBTSHRCYP1A2FABP5
SCHEMBL3062707 0.79 HTR2A (0.47) HTR2APOLBTSHRCYP1A2FABP5
SCHEMBL29639019 0.78 HTR2A (0.58) HTR2APOLBTSHRCYP1A2FABP5
SCHEMBL261028 0.78 HTR2A (0.58) HTR2APOLBTSHRCYP1A2FABP5
Trifluoroacetic Acid SCHEMBL29065252 0.75 HTR2A (0.42) HTR2APOLBTSHRCYP1A2FABP5
Glutarate SCHEMBL3623154 0.75 KMT2A (0.52) HTR2ATSHRCYP1A2MAPTHDAC3
SCHEMBL5030964 0.73 KMT2A (0.49) POLBCYP1A2FABP5FABP7KMT2A
SCHEMBL1230997 0.71 HTR2A (0.47) HTR2APOLBTSHRFABP5FABP7
SCHEMBL29844647 0.71 HTR2A (0.47) HTR2APOLBTSHRFABP5FABP7
SCHEMBL18385998 0.71 HTR2A (0.50) HTR2APOLBTSHRCYP1A2FABP5

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
US-6969578-B2 For exposure to actinic radiation; data processing EASTMAN KODAK COMPANY (US) 2005-11-29 US disclosed
US-20040038146-A1 For exposure to actinic radiation; data processing EASTMAN KODAK COMPANY 2004-02-26 US disclosed
EP-1391886-A1 Optical recording material EASTMAN KODAK COMPANY (US) 2004-02-25 EP disclosed