SCHEMBL17029862

SCHEMBL17029862

CCc1c(CO)cc(C2CCCCC2)cc1CO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
CNR2 P34972 4/20 0.34
KMO O15229 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ACMSD Q8TDX5 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
CNR1 P21554 3/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HAO1 Q9UJM8 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2A P28223 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
SCHEMBL2219914 0.79 ACMSD (0.39) EPHX2NOS3NOS1NOS2CNR2
SCHEMBL9722928 0.78 EPHX2 (0.47) EPHX2NOS3NOS1NOS2CNR2
SCHEMBL4452694 0.77 HDAC4 (0.38) EPHX2NOS3NOS1NOS2CNR2
SCHEMBL12510597 0.76 PTPN1 (0.39) CNR2CNR1HTR2A
SCHEMBL11422572 0.74 EPHX2 (0.47) EPHX2NOS3NOS1NOS2CNR2
SCHEMBL8683743 0.72 EPHX2 (0.40) EPHX2KMOSMN1; SMN2
SCHEMBL8686944 0.72 EPHX2 (0.40) EPHX2KMOSMN1; SMN2
SCHEMBL8681799 0.72 EPHX2 (0.40) EPHX2KMOSMN1; SMN2
SCHEMBL27956345 0.71 ACMSD (0.54) KMOACMSDHDAC4HDAC2HDAC8
SCHEMBL16559623 0.71 ALOX5AP (0.34) EPHX2KMOALDH1A1ACMSDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209523-B1 Composition of positive photosensitive resin precursor, and display device made thereof TORAY INDUSTRIES (JP) 2015-08-26 EP disclosed