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SCHEMBL2874018

SCHEMBL2874018

COC(=O)C(CSCC=C(C)CCC=C(C)CNc1ccc([N+](=O)[O-])cc1)NC(=O)CCC(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 14/20 0.46
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL2873803 0.92 ICMT (0.46) ICMTPOLBALDH1A1MAPT
SCHEMBL2873805 0.92 ICMT (0.46) ICMTPOLBALDH1A1MAPT
SCHEMBL2880095 0.90 ICMT (0.51) ICMTALDH1A1MAPT
SCHEMBL2878038 0.84 ICMT (0.55) ICMTPOLBALDH1A1MAPT
SCHEMBL2878036 0.84 ICMT (0.55) ICMTPOLBALDH1A1MAPT
SCHEMBL2872660 0.82 ICMT (0.47) ICMTALDH1A1MAPT
SCHEMBL2872657 0.82 ICMT (0.47) ICMTALDH1A1MAPT
SCHEMBL2877315 0.79 ICMT (0.45) ICMTALDH1A1MAPT
SCHEMBL2877316 0.79 ICMT (0.45) ICMTALDH1A1MAPT
SCHEMBL2871971 0.75 ICMT (0.41) ICMTALDH1A1MAPT

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