SCHEMBL21849676

SCHEMBL21849676

CNC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 3/20 0.39
▸ PRSS1 P07477 2/20 0.39
▸ ABCB1 P08183 2/20 0.39
▸ PLG P00747 1/20 0.36
▸ CTSL P07711 2/20 0.36
▸ CTSB P07858 2/20 0.36
▸ CTSS P25774 2/20 0.36
▸ CTSK P43235 2/20 0.36
▸ APP P05067 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL19884607 0.90 TPSAB1 (0.41) TPSAB1PRSS1ABCB1PLGCTSL
SCHEMBL19286749 0.86 CTSB (0.39) TPSAB1PRSS1ABCB1PLGCTSL
SCHEMBL20121890 0.81 MEN1 (0.37) TPSAB1PRSS1ABCB1PLGCTSL
SCHEMBL25790651 0.79 CTSB (0.46) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL19389590 0.78 PRSS1 (0.43) TPSAB1PRSS1ABCB1APPKDM4E
SCHEMBL24336897 0.77 MEN1 (0.47) TPSAB1PRSS1PLGKDM4EALDH1A1
SCHEMBL19719340 0.77 MEN1 (0.34) ABCB1CTSLCTSBCTSSCTSK
SCHEMBL27344037 0.76 APP (0.44) TPSAB1PRSS1ABCB1APPKDM4E
SCHEMBL19267132 0.75 PRSS1 (0.41) TPSAB1PRSS1ABCB1CTSLCTSB
SCHEMBL20799986 0.75 TPSAB1 (0.39) TPSAB1PRSS1ABCB1PLGCTSL

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-3632462-A1 DIMERIC PROTEIN WITH TRIPLE MUTATIONS Genmab B.V. (NL) 2020-04-08 — — EP disclosed
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