SCHEMBL11415082

SCHEMBL11415082

CCC[C@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LAP3 P28838 2/20 0.57
▸ ANPEP P15144 1/20 0.57
▸ RNPEP Q9H4A4 1/20 0.57
▸ DNPEP Q9ULA0 1/20 0.57
▸ HDAC3 O15379 2/20 0.52
▸ HDAC4 P56524 2/20 0.52
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ HDAC8 Q9BY41 2/20 0.52
▸ GNPAT O15228 1/20 0.50
▸ MME P08473 4/20 0.49
▸ ACE P12821 2/20 0.48
▸ CPA1 P15085 2/20 0.48
▸ ACE2 Q9BYF1 2/20 0.48
▸ CSNK1E P49674 1/20 0.47

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
SCHEMBL5812584 1.00 LAP3 (0.57) LAP3ANPEPRNPEPDNPEPHDAC3
SCHEMBL5812579 1.00 LAP3 (0.57) LAP3ANPEPRNPEPDNPEPHDAC3
SCHEMBL21570273 0.92 LAP3 (0.55) LAP3ANPEPRNPEPDNPEPHDAC3
SCHEMBL21570275 0.92 LAP3 (0.55) LAP3ANPEPRNPEPDNPEPHDAC3
SCHEMBL5812534 0.92 LAP3 (0.55) LAP3ANPEPRNPEPDNPEPHDAC3
SCHEMBL5812528 0.92 LAP3 (0.55) LAP3ANPEPRNPEPDNPEPHDAC3
SCHEMBL13427297 0.90 HDAC3 (0.55) LAP3ANPEPRNPEPDNPEPHDAC3
SCHEMBL11414316 0.88 MME (0.61) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL11414321 0.88 MME (0.61) LAP3ANPEPRNPEPDNPEPMME
SCHEMBL11412768 0.87 NAALAD2 (0.63) LAP3ANPEPRNPEPDNPEPMME

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-4240975-A USED AS ENZYME INHIBITOR, ANTIFERTILITY AGENT, AND ENHANCES THE ANTITUMOR EFFECT OF BLEOMYCIN ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-12-23 — — US disclosed
Send feedback