SCHEMBL29332012

SCHEMBL29332012

CCOC(=O)N(C)CCN(C)C(=O)OCc1ccc(NI)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
PRSS1 P07477 1/20 0.43
TPSAB1 Q15661 1/20 0.43
ALDH1A1 P00352 6/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 5/20 0.37
HPGD P15428 2/20 0.37
NAMPT P43490 1/20 0.37
HDAC1 Q13547 1/20 0.36
GAA P10253 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL29331201 0.89 TGM2 (0.46) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL22239359 0.85 PRSS1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL22546602 0.84 F13A1 (0.42) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL20067654 0.83 PRSS1 (0.43) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL13596562 0.80 F13A1 (0.43) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL11982008 0.77 PRSS1 (0.45) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL25962335 0.77 PRSS1 (0.42) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL24760586 0.76 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL24760213 0.76 PRSS1 (0.44) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL10224011 0.76 F13A1 (0.44) 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-2024150132-A1 LIGAND-DRUG CONJUGATES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2024-07-18 WO disclosed