SCHEMBL25518244

SCHEMBL25518244

CCC(=O)OC(CC)CNC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSK P43235 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
HIF1A Q16665 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
KISS1R Q969F8 2/20 0.31
ANPEP P15144 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
SCHEMBL23766663 0.85 MAPT (0.32) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL6785594 0.84 MEN1 (0.48) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL25518095 0.83 ALDH1A1 (0.43) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL22270592 0.82 MEN1 (0.39) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL10308648 0.80 TSHR (0.39) MEN1KMT2AMAPTCTSKALDH1A1
SCHEMBL23911824 0.77 ALDH1A1 (0.40) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL9451861 0.77 MAPT (0.48) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL9744298 0.77 MEN1 (0.44) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL12835743 0.77 KISS1R (0.33) CTSKMGAMGAASIMGAM2
SCHEMBL6902331 0.77 MEN1 (0.44) MEN1CYP2C19RECQLKMT2AMAPT

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-2023088229-A1 METHOD FOR SYNTHESIZING RIVAROXABAN 浙江华海药业股份有限公司 2023-05-25 WO disclosed