SCHEMBL4285958

SCHEMBL4285958

C=Cc1ccc(C(=O)Nc2cccc3c2C(=O)c2cccc(NC(=O)c4ccc(C=C)cc4)c2C3=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MMP14 P50281 1/20 0.50
MAOA P21397 1/20 0.49
HDAC2 Q92769 1/20 0.46
TERT O14746 5/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
CYP1A2 P05177 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL4654042 0.96 MAOA (0.56) CASP3MEN1KMT2AMMP14MAOA
SCHEMBL4293382 0.94 MEN1 (0.54) CASP3MEN1KMT2AMMP14MAOA
SCHEMBL4297792 0.90 MEN1 (0.50) CASP3MEN1KMT2AMMP14MAOA
SCHEMBL4299603 0.89 MEN1 (0.64) CASP3MEN1KMT2AMMP14MAOA
SCHEMBL15153792 0.87 MEN1 (0.48) CASP3MEN1KMT2AMMP14MAOA
SCHEMBL29358319 0.83 CASP3 (0.71) CASP3MEN1KMT2AMMP14MAOA
SCHEMBL12960466 0.83 MAOA (0.69) CASP3MEN1KMT2AMMP14MAOA
SCHEMBL4293628 0.83 MAOA (0.53) CASP3MEN1KMT2AMMP14MAOA
SCHEMBL4291253 0.83 MEN1 (0.57) CASP3MEN1KMT2AMMP14MAOA
SCHEMBL4305458 0.83 MEN1 (0.76) CASP3MEN1KMT2AMMP14MAOA

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
EP-1696257-B1 CONTACT LENS MATERIAL MENICON CO LTD (JP) 2012-11-21 EP disclosed
US-20090247662-A1 Contact Lens Material MATSUMOTO MASAHIRO 2009-10-01 US disclosed
EP-2049112-A2 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS Bausch & Lomb Incorporated (US) 2009-04-22 EP disclosed
WO-2008021728-A2 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED' GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO disclosed
US-20070149699-A1 Contact lens material MENICON CO., LTD. (JP) 2007-06-28 US disclosed
EP-1696257-A1 CONTACT LENS MATERIAL MENICON CO., LTD. (JP) 2006-08-30 EP disclosed