SCHEMBL4154588

SCHEMBL4154588

C=C(CC(=O)O)C(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.38
EPHX2 P34913 4/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NAAA Q02083 1/20 0.36
CYP17A1 P05093 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
CA2 P00918 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL4154583 0.86 CYP19A1 (0.44) CYP19A1EPHX2ALDH1A1HTTNAAA
SCHEMBL28179060 0.85 KDM4E (0.39) CYP19A1EPHX2ALDH1A1HTTKDM4E
SCHEMBL1271393 0.82 CYP19A1 (0.40) CYP19A1EPHX2ALDH1A1HTTNAAA
SCHEMBL283707 0.81 CYP19A1 (0.39) CYP19A1EPHX2ALDH1A1HTTNAAA
SCHEMBL21123182 0.81 CYP19A1 (0.39) CYP19A1EPHX2ALDH1A1HTTNAAA
SCHEMBL31681090 0.81 CYP19A1 (0.39) CYP19A1EPHX2ALDH1A1HTTNAAA
SCHEMBL8399502 0.80 CYP19A1 (0.39) CYP19A1EPHX2ALDH1A1HTTNAAA
SCHEMBL22615855 0.79 CYP19A1 (0.39) CYP19A1EPHX2ALDH1A1HTTKDM4E
SCHEMBL2625637 0.78 CYP19A1 (0.49) CYP19A1EPHX2ALDH1A1HTTKDM4E
SCHEMBL7038407 0.78 CYP19A1 (0.37) CYP19A1EPHX2ALDH1A1HTTNAAA

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
EP-2090933-A1 Lithographic printing plate precursor and printing method FUJIFILM Corporation (JP) 2009-08-19 EP disclosed
US-20090197205-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PRINTING METHOD FUJIFILM CORPORATION (JP) 2009-08-06 US disclosed