SCHEMBL12466619

SCHEMBL12466619

COC(=O)[C@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)NC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ICMT O60725 16/20 0.59
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GMNN O75496 1/20 0.42
TRPA1 O75762 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
CDK2 P24941 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL1304833 0.84 ICMT (0.68) ICMTMAPTALDH1A1
SCHEMBL12110882 0.84 ICMT (0.68) ICMTMAPTALDH1A1
SCHEMBL14596315 0.84 ICMT (0.62) ICMTLMNAMAPTALDH1A1GMNN
SCHEMBL12466774 0.83 ICMT (0.72) ICMTMAPTALDH1A1
SCHEMBL12466742 0.82 ICMT (0.69) ICMTMAPTALDH1A1POLB
SCHEMBL14596313 0.80 ICMT (0.70) ICMTMAPTALDH1A1
SCHEMBL5808346 0.77 MAPT (0.77) ICMTMAPTALDH1A1TRPA1
SCHEMBL12110880 0.76 ICMT (0.61) ICMTLMNAMAPTALDH1A1GMNN
SCHEMBL12466755 0.76 ICMT (0.61) ICMTLMNAMAPTALDH1A1GMNN
SCHEMBL21697821 0.76 ICMT (0.67) ICMTLMNAMAPTALDH1A1GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592173-B2 Cancer diagnosis by measuring polyisoprenylated methylated protein methyl esterase activity FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 2013-11-26 US disclosed
US-20130084573-A1 Cancer Diagnosis by Measuring Polyisoprenylated Methylated Protein Methyl Esterase Activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-04-04 US disclosed
WO-2012102773-A2 CANCER DIAGNOSIS BY MEASURING POLYISOPRENYLATED METHYLATED PROTEIN METHYL ESTERASE ACTIVITY FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 2012-08-02 WO disclosed