SCHEMBL21132846

SCHEMBL21132846

CN(CCN(C)C(=O)C(C)(C)C)C(=O)OCc1ccc(NC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F13A1 P00488 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ TGM1 P22735 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ TPSAB1 Q15661 1/20 0.41
▸ KMT2A Q03164 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RORC P51449 1/20 0.32
▸ MAPT P10636 2/20 0.32

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
SCHEMBL25749356 0.87 PRSS1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL13596297 0.85 F13A1 (0.40) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL21132743 0.85 F13A1 (0.42) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL24760301 0.83 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL25567568 0.83 PRSS1 (0.43) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL25748676 0.83 ESRRG (0.48) PRSS1TPSAB1KMT2ASMN1; SMN2MEN1
SCHEMBL26192260 0.82 PPARA (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL19592679 0.81 F13A1 (0.44) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL25751042 0.81 MEN1 (0.45) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL26192257 0.77 PRSS1 (0.40) F13A1TGM2TGM1PRSS1TPSAB1

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-2019117812-A1 NEAR INFRA-RED MOLECULAR PROBES FOR USE IN DIAGNOSIS OF FIBROTIC CONDITIONS AND SCREENING OF ANTI-FIBROTIC DRUGS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-06-20 — — WO disclosed
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