SCHEMBL3936988

SCHEMBL3936988

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ ITGB3 P05106 2/20 0.47
▸ ITGA2B P08514 2/20 0.47
▸ ITGB1 P05556 4/20 0.46
▸ ITGA4 P13612 4/20 0.46
▸ ACE P12821 5/20 0.46
▸ ACE2 Q9BYF1 5/20 0.46
▸ MME P08473 4/20 0.46
▸ CPA1 P15085 4/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14542190 0.91 ALDH1A1 (0.44) LMNAALDH1A1HSD17B10ACEKMT2A
SCHEMBL14542192 0.88 GAA (0.48) LMNAALDH1A1HSD17B10ACEKMT2A
SCHEMBL3936484 0.84 ACE (0.54) ALDH1A1HSD17B10ITGB3ITGA2BITGA4
SCHEMBL3936490 0.84 ACE (0.54) ALDH1A1HSD17B10ITGB3ITGA2BITGA4
SCHEMBL3936455 0.84 ACE (0.54) ALDH1A1HSD17B10ITGB3ITGA2BITGA4
SCHEMBL5151943 0.84 ACE (0.54) ALDH1A1HSD17B10ITGB3ITGA2BITGA4
SCHEMBL27559390 0.82 SLC7A5 (0.50) LMNAALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL13879329 0.78 DPP4 (0.40) ALDH1A1KMT2A
SCHEMBL13879233 0.76 ALDH1A1 (0.37) ALDH1A1HSD17B10KMT2ASMN1; SMN2
SCHEMBL5994613 0.75 LMNA (0.63) LMNAALDH1A1ITGB3ITGA2BACE

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
EP-1945621-B1 PROCESS TO PREPARE AMINO ACID DERIVATIVES REDDY S LAB EU LTD DR (GB) 2009-04-15 — — EP disclosed
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