SCHEMBL24760588

SCHEMBL24760588

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
PRSS1 P07477 1/20 0.39
TPSAB1 Q15661 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HDAC1 Q13547 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
EGFR P00533 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL13029063 0.88 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL3071986 0.87 F13A1 (0.43) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL11990731 0.86 F13A1 (0.42) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL22546602 0.86 F13A1 (0.42) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL24760301 0.86 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL21706330 0.85 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL13130772 0.85 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL24760586 0.84 F13A1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL24760232 0.84 PRSS1 (0.41) F13A1TGM2TGM1PRSS1TPSAB1
SCHEMBL25749404 0.84 MEN1 (0.45) 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