SCHEMBL5733012

SCHEMBL5733012

CC(C)(S)CNCCCCCNCCNCC(C)(C)S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 3/20 0.36
CASP2 P42575 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CA12 O43570 2/20 0.32
F13A1 P00488 2/20 0.32
CA2 P00918 2/20 0.32
ALOX15 P16050 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
THPO P40225 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL8025616 0.89 CA12 (0.50) TSHRALDH1A1CYP2C19CYP1A2CASP2
SCHEMBL17119221 0.87 CYP2C19 (0.36) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL2225315 0.87
SCHEMBL11259548 0.86 TSHR (0.52) TSHRALDH1A1
Hydrochloric Acid SCHEMBL7792166 0.84 TSHR (0.50) TSHRALDH1A1CYP2C19CYP1A2
SCHEMBL13630903 0.78 KDM4E (0.33) TSHRALDH1A1CYP2C19CYP1A2MEN1
SCHEMBL7794644 0.77
SCHEMBL16716017 0.74
SCHEMBL15775098 0.71 ADH1B (0.31) ALDH1A1CYP2C19CYP1A2
SCHEMBL15832913 0.69 CYP1A2 (0.35) TSHRALDH1A1CYP2C19CYP1A2CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1092726-B1 Radioactively-labeled somatostatin derived peptides for imaging and therapeutics uses DIATIDE INC (US) 2006-08-23 EP disclosed
EP-0804481-B1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS DIATIDE INC (US) 2003-04-16 EP disclosed
EP-0649434-B1 RADIOACTIVELY-LABELED SOMATOSTATIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES DIATIDE INC (US) 2001-08-01 EP disclosed
US-6241965-B1 MEDICAL DIAGNOSTIC AND ANTITUMOR AGENTS DIATIDE, INC. 2001-06-05 US disclosed
EP-1092726-A2 Radioactively-labeled somatostatin derived peptides for imaging and therapeutics uses Diatide, Inc. (US) 2001-04-18 EP disclosed
EP-0720621-B1 RADIOLABELED SOMATOSTATIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES DIATIDE INC (US) 2001-02-07 EP disclosed
US-6183722-B1 A CYCLIC PEPTIDE DERIVATIVES FOR USE IN THERAPEUTIC REAGENTS AND RADIOTHERAPEUTIC REAGENTS AND RADIODIAGNOSTIC REAGENTS; A SOMATOSTATIN RECEPTOR-BINDING PEPTIDE DIATIDE, INC. 2001-02-06 US disclosed
EP-0788377-A2 RADIOLABELLED GLUCANS Diatide, Inc. (US) 1997-08-13 EP disclosed
WO-1995003836-A2 RADIOLABELLED GLUCANS DIATECH, INC. (US) 1995-02-09 WO disclosed
WO-1995003330-A1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS DIATECH, INC. (US) 1995-02-02 WO disclosed
WO-1995000553-A1 RADIOLABELED SOMATOSTATIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES DIATECH, INC. (US) 1995-01-05 WO disclosed