SCHEMBL90825

SCHEMBL90825

O=C(O)CC1CC(=O)c2cc(I)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.51
PBRM1 Q86U86 1/20 0.38
ABCB1 P08183 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
CYP3A4 P08684 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
APEX1 P27695 1/20 0.35
HTR1A P08908 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP19A1 P11511 1/20 0.34
MAOB P27338 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
THRA P10827 1/20 0.34

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
SCHEMBL14706690 0.84 AR (0.39) ARPBRM1ABCB1SIGMAR1SIRT2
SCHEMBL68082 0.83 AR (0.51) ARPBRM1ABCB1SIGMAR1SIRT2
SCHEMBL9425471 0.83 MAOB (0.44) ARABCB1CYP19A1MAOB
SCHEMBL6350221 0.80 MAOB (0.55) ARABCB1SIGMAR1CYP3A4HTR1A
SCHEMBL6747478 0.79 MEN1 (0.52) ARCYP3A4MAOB
SCHEMBL6745130 0.79 MEN1 (0.52) ARCYP3A4MAOB
SCHEMBL6745132 0.79 MEN1 (0.52) ARCYP3A4MAOB
SCHEMBL10076980 0.73 PBRM1 (0.67) ARPBRM1ABCB1CYP3A4ABCG2
SCHEMBL16856437 0.72 HSD17B10 (0.37) CYP3A4HSD17B10DRD2DRD1DRD4
SCHEMBL10078168 0.69 AR (0.34) ARHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8128843-B2 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8110253-B2 Ink composition FUJIFILM CORPORATION (JP) 2012-02-07 US disclosed
US-20100015352-A1 INK-JET INK COMPOSITION, AND INK-JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-01-21 US disclosed
US-20100015360-A1 AQUEOUS INK COMPOSITION, AQUEOUS INK COMPOSITION FOR INKJET RECORDING, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-01-21 US disclosed
US-20090186163-A1 PHOTOCURABLE COMPOSITION, PHOTOCURABLE INK COMPOSITION, PROCESS FOR PRODUCING PHOTOCURED MATERIAL, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-07-23 US disclosed
US-20090087576-A1 INK COMPOSITION FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed