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Sugi Predict / Compounds / SCHEMBL29053530

SCHEMBL29053530

SCHEMBL29053530

C=CCC(NC(=O)OC(C)(C)C)c1nc(-c2ccc(NC(=O)OC)cc2C(=O)O)cn1COCC[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 1/20 0.35
▸ SUV39H2 Q9H5I1 4/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ P2RY14 Q15391 1/20 0.31
▸ ACSS2 Q9NR19 1/20 0.30

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
SCHEMBL617068 1.00 F11 (0.35) F11SUV39H2DGAT1LMNAGAA
SCHEMBL30480729 0.93 F11 (0.35) F11SUV39H2DGAT1LMNAGAA
SCHEMBL616157 0.93 F11 (0.35) F11SUV39H2DGAT1LMNAGAA
SCHEMBL614224 0.91 F11 (0.34) F11SUV39H2DGAT1LMNAGAA
SCHEMBL29053470 0.91 F11 (0.34) F11SUV39H2DGAT1LMNAGAA
SCHEMBL29053462 0.91 F11 (0.34) F11SUV39H2DGAT1LMNAGAA
SCHEMBL613659 0.91 F11 (0.34) F11SUV39H2DGAT1LMNAGAA
SCHEMBL614960 0.91 F11 (0.33) F11SUV39H2
SCHEMBL29053475 0.90 F11 (0.34) F11SUV39H2DGAT1LMNAGAA
SCHEMBL613416 0.90 F11 (0.34) F11SUV39H2DGAT1LMNAGAA

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
CN-107973809-B Macrocyclic compounds as factor XIA inhibitors 百时美施贵宝公司 2023-06-30 — — CN disclosed