SCHEMBL14542190

SCHEMBL14542190

CC(=O)NC(Cc1ccc(CN2[C@H](C)CCC[C@@H]2C)cc1)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ACACB O00763 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SRC P12931 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ GAA P10253 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
SCHEMBL3936988 0.91 LMNA (0.54) ALDH1A1LMNAACEHSD17B10KDM4E
SCHEMBL14542192 0.89 GAA (0.48) ALDH1A1LMNAACEHSD17B10KMT2A
SCHEMBL14542443 0.85 ACE (0.48) ACEKMT2A
SCHEMBL13879233 0.82 ALDH1A1 (0.37) ALDH1A1HSD17B10MEN1KMT2AOPRK1
SCHEMBL13879329 0.81 DPP4 (0.40) ALDH1A1KMT2AGAA
SCHEMBL27559390 0.77 SLC7A5 (0.50) ALDH1A1LMNAHSD17B10KDM4EMEN1
SCHEMBL3936455 0.76 ACE (0.54) ALDH1A1ACEHSD17B10KMT2A
SCHEMBL5151943 0.76 ACE (0.54) ALDH1A1ACEHSD17B10KMT2A
SCHEMBL3936484 0.76 ACE (0.54) ALDH1A1ACEHSD17B10KMT2A
SCHEMBL3936490 0.76 ACE (0.54) ALDH1A1ACEHSD17B10KMT2A

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-2007038116-A1 PROCESS TO PREPARE AMINO ACID DERIVATIVES DOW GLOBAL TECHNOLOGIES INC. (US) 2007-04-05 — — WO disclosed
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