SCHEMBL9726142

SCHEMBL9726142

C=CC(=O)NCCC(C)NC(=O)C=C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TGM2 P21980 11/20 0.38
ACACB O00763 2/20 0.37
GAA P10253 1/20 0.35
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
Bromide SCHEMBL4153771 0.85 ZDHHC20 (0.47) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL410374 0.82 ZDHHC20 (0.52) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
Acetic Acid SCHEMBL4158706 0.81 ZDHHC20 (0.44) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL8366347 0.80 TSHR (0.56) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL151622 0.80 ZDHHC20 (0.50) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL325416 0.80 TSHR (0.56) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL108347 0.80 TSHR (0.56) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL28433367 0.78 ZDHHC20 (0.48) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL19300353 0.78 ZDHHC20 (0.48) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL28148777 0.78 TSHR (0.54) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0265501-A4 POLYAMIDE RESIN AND METHOD FOR PREPARATION OF REAGENTS FOR IMMUNODIAGNOSTIC USE. SOUTHWEST FOUND BIOMED RES (US) 1988-11-09 EP claimed
EP-0265501-A1 POLYAMIDE RESIN AND METHOD FOR PREPARATION OF REAGENTS FOR IMMUNODIAGNOSTIC USE SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1988-05-04 EP claimed
WO-1987006594-A1 POLYAMIDE RESIN AND METHOD FOR PREPARATION OF REAGENTS FOR IMMUNODIAGNOSTIC USE SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1987-11-05 WO claimed
WO-2009056955-A1 AMINE-BEARING PHOSPHOLIPIDS (ABPS), THEIR SYNTHESIS AND USE UNIVERSITY OF BASEL (CH) 2009-05-07 WO disclosed
US-5126399-A Conjugate of unsaturated amide resin and peptide containing b-cell and t-cell epitopes, immune system stimulants BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-06-30 US disclosed
US-5028675-A Polyamide resin and method for preparation of reagents for immunodiagn ostic use SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1991-07-02 US disclosed
WO-1990015627-A1 METHODS AND COMPOSITIONS FOR THE PREPARATION AND USE OF SITE-DIRECTED IMMUNOLOGIC REAGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-12-27 WO disclosed
EP-0276279-A4 COMPOSITION OF MATTER AND METHOD OF IMMUNIZING AGAINST VIRAL CAUSATIVE AGENTS OF AIDS AND ARC. SOUTHWEST FOUND BIOMED RES (US) 1990-01-08 EP disclosed
EP-0265501-A4 POLYAMIDE RESIN AND METHOD FOR PREPARATION OF REAGENTS FOR IMMUNODIAGNOSTIC USE. SOUTHWEST FOUND BIOMED RES (US) 1988-11-09 EP disclosed
EP-0276279-A1 COMPOSITION OF MATTER AND METHOD OF IMMUNIZING AGAINST VIRAL CAUSATIVE AGENTS OF AIDS AND ARC SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1988-08-03 EP disclosed
EP-0265501-A1 POLYAMIDE RESIN AND METHOD FOR PREPARATION OF REAGENTS FOR IMMUNODIAGNOSTIC USE SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1988-05-04 EP disclosed
WO-1988000471-A1 COMPOSITION OF MATTER AND METHOD OF IMMUNIZING AGAINST VIRAL CAUSATIVE AGENTS OF AIDS AND ARC SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1988-01-28 WO disclosed
WO-1987006594-A1 POLYAMIDE RESIN AND METHOD FOR PREPARATION OF REAGENTS FOR IMMUNODIAGNOSTIC USE SOUTHWEST FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1987-11-05 WO disclosed