SCHEMBL24760586

SCHEMBL24760586

CCC(=O)N(C)CCN(C)C(=O)OCc1ccc(NC(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 0.40
TPSAB1 Q15661 1/20 0.40
HDAC1 Q13547 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 2/20 0.33
TSHR P16473 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
SCHEMBL22546602 0.92 F13A1 (0.42) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL3071986 0.88 F13A1 (0.43) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL11990731 0.87 F13A1 (0.42) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL21706330 0.86 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL13029063 0.86 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL13130772 0.86 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL13596562 0.86 F13A1 (0.43) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL24760578 0.85 PRSS1 (0.44) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL24760232 0.85 PRSS1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL24761197 0.84 PRSS1 (0.43) 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-2022262789-A1 ANTITUMOR COMPOUND AND USE THEREOF 明慧医药(杭州)有限公司 2022-12-22 WO disclosed