SCHEMBL68625

SCHEMBL68625

C=Cc1ccc(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.38
GAA P10253 2/20 0.35
PTPN1 P18031 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 2/20 0.33
CYP17A1 P05093 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
SCHEMBL13902775 0.85 CYP2D6 (0.51) CYP19A1GAAPTPN1HTTCYP17A1
SCHEMBL16273220 0.81 TSHR (0.49) GAAPTPN1HTTKMT2AMEN1
SCHEMBL28390523 0.77 CYP19A1 (0.61) CYP19A1PTPN1KMT2A
SCHEMBL28637973 0.74 KMT2A (0.32) GAAHTTKMT2AMEN1TSHR
Pempidine SCHEMBL6824245 0.73 TSHR (0.45) GAAHTTTSHR
SCHEMBL14399902 0.72 ALDH1A1 (0.41) CYP19A1GAAHTTKMT2AMEN1
SCHEMBL12352277 0.72 KMT2A (0.35) GAAHTTKMT2AMEN1TSHR
SCHEMBL9003582 0.71 HTT (0.36) GAAHTTKMT2AMEN1TSHR
Suxemerid SCHEMBL2779070 0.71 SMN1; SMN2 (0.39) GAAHTTKMT2AMEN1TSHR
SCHEMBL537637 0.71 KMT2A (0.35) GAAHTTKMT2AMEN1TSHR

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 15 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-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-8092869-B2 Ink composition for ink jet recording and method for ink jet recording FUJIFILM CORPORATION (JP) 2012-01-10 US disclosed
US-8092869-B2 Ink composition for ink jet recording and method for ink jet recording FUJIFILM CORPORATION (JP) 2012-01-10 US disclosed
EP-2085439-A1 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM Corporation (JP) 2009-08-05 EP 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-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-20090155484-A1 Inkjet recording ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2009-06-18 US disclosed
US-20090155484-A1 Inkjet recording ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2009-06-18 US disclosed
EP-2070998-A1 Inkjet recording ink composition and inkjet recording method Fujifilm Corporation (JP) 2009-06-17 EP disclosed
US-20090074982-A1 INK COMPOSITION FOR INK JET RECORDING AND METHOD FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed
US-20090074982-A1 INK COMPOSITION FOR INK JET RECORDING AND METHOD FOR INK JET RECORDING FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed
US-20080131618-A1 INK COMPOSITION FOR INKJET-RECORDING AND METHOD FOR INKJET-RECORDING FUJIFILM CORPORATION (JP) 2008-06-05 US disclosed
US-20080131618-A1 INK COMPOSITION FOR INKJET-RECORDING AND METHOD FOR INKJET-RECORDING FUJIFILM CORPORATION (JP) 2008-06-05 US disclosed
EP-1927477-A1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM Corporation (JP) 2008-06-04 EP disclosed