SCHEMBL2877689

SCHEMBL2877689

COC(=O)C(N)CSC/C=C(\C)CC/C=C(\C)CNc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 14/20 0.45
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TRPA1 O75762 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CDK2 P24941 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KIF11 P52732 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2877690 1.00 ICMT (0.45) ICMTMAPTALDH1A1TRPA1GMNN
SCHEMBL2877315 0.86 ICMT (0.45) ICMTMAPTALDH1A1
SCHEMBL2877316 0.86 ICMT (0.45) ICMTMAPTALDH1A1
SCHEMBL2872660 0.82 ICMT (0.47) ICMTMAPTALDH1A1
SCHEMBL2872657 0.82 ICMT (0.47) ICMTMAPTALDH1A1
SCHEMBL8977916 0.81 MAPT (0.57) ICMTMAPTALDH1A1TRPA1MEN1
SCHEMBL14596316 0.81 MAPT (0.57) ICMTMAPTALDH1A1TRPA1MEN1
SCHEMBL2880044 0.81 MAPT (0.57) ICMTMAPTALDH1A1TRPA1MEN1
SCHEMBL14663234 0.81 MAPT (0.57) ICMTMAPTALDH1A1TRPA1MEN1
SCHEMBL8977914 0.81 MAPT (0.57) ICMTMAPTALDH1A1TRPA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745589-B1 Antibodies and unnatural substrates of prenylation enzymes for use in detecting and isolating prenylated proteins UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-06-29 US disclosed