SCHEMBL8607691

SCHEMBL8607691

C=C(CCC)C(=O)O.CCCCNC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.44
EPHX1 P07099 4/20 0.42
ALOX15 P16050 1/20 0.42
ACHE P22303 7/20 0.40
MMP2 P08253 1/20 0.40
EPHX2 P34913 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
NAAA Q02083 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G4A P47712 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7005914 0.87 EPHX1 (0.44) EPHX1ALOX15ACHEMMP2ZDHHC20
SCHEMBL8607584 0.82 HDAC3 (0.37) CASP2ALOX15MMP2
SCHEMBL1011841 0.82 ALOX15 (0.35) ALOX15EPHX2PLA2G4AKDM4E
Formaldehyde SCHEMBL20162220 0.82 EPHX1 (0.54) CASP2EPHX1ALOX15ACHEMMP2
SCHEMBL42439 0.82
SCHEMBL242295 0.81 CASP2 (0.53) CASP2EPHX1ALOX15EPHX2NAAA
SCHEMBL1091793 0.80 CASP2 (0.52) CASP2EPHX2NAAAKDM4E
SCHEMBL3862256 0.80 CES1 (0.46) ALOX15ALDH1A1
Iodide SCHEMBL23242193 0.80
Hydrochloric Acid SCHEMBL2398903 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10031305-A None JP disclosed
JP-H1031305-A PHOTOSENSITIVE COMPOSITION OKAMOTO KAGAKU KOGYO KK 1998-02-03 JP disclosed