SCHEMBL8812949

SCHEMBL8812949

CC[C@H](C)C(N)COC(Cc1ccccc1)C(=O)N[C@H]1CCOC1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL5891922 0.99 MEN1 (0.43) MEN1KMT2ACYP1A2FNTAFNTB
SCHEMBL9182362 0.85 EGFR (0.55) FNTAFNTBALDH1A1
SCHEMBL5891478 0.85 EGFR (0.55) FNTAFNTBALDH1A1
Hydrochloric Acid SCHEMBL8075381 0.83
Hydrochloric Acid SCHEMBL8075037 0.83 MEN1 (0.39) MEN1KMT2ACYP1A2HSD17B10
SCHEMBL5891488 0.83 SCN9A (0.43) KMT2A
Hydrochloric Acid SCHEMBL8074695 0.80
SCHEMBL8073871 0.78 EGFR (0.43) KMT2AFNTAFNTBALDH1A1
SCHEMBL9186835 0.78 MEN1 (0.42) MEN1KMT2ACYP1A2HSD17B10
Hydrochloric Acid SCHEMBL8065794 0.77 MEN1 (0.41) MEN1KMT2ACYP1A2HSD17B10

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
WO-1997001275-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-01-16 WO disclosed