SCHEMBL31453555

SCHEMBL31453555

CCOC(=O)/C=C/C(=O)N(c1ccc(F)c(Cl)c1)[C@@H](C)CC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MDM2 Q00987 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
KMT2A Q03164 1/20 0.34
XPO1 O14980 1/20 0.34

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
SCHEMBL31453702 0.91 ALDH1A1 (0.43) MAPTALDH1A1MDM2L3MBTL1LMNA
SCHEMBL31453640 0.91 ALDH1A1 (0.43) MAPTALDH1A1MDM2L3MBTL1LMNA
SCHEMBL31453677 0.82 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1LMNATSHR
SCHEMBL31453537 0.81 MAPT (0.43) MAPTALDH1A1L3MBTL1LMNATSHR
SCHEMBL31453592 0.78 ALDH1A1 (0.40) MAPTALDH1A1L3MBTL1LMNA
SCHEMBL14229031 0.77 ALDH1A1 (0.44) MAPTALDH1A1MDM2LMNATSHR
SCHEMBL14200487 0.75 ALDH1A1 (0.43) MAPTALDH1A1LMNATSHRKDM4E
SCHEMBL31453570 0.73 MAPT (0.41) MAPTALDH1A1MDM2L3MBTL1LMNA
SCHEMBL635894 0.71 RORC (0.43) MAPTALDH1A1MDM2L3MBTL1LMNA
SCHEMBL635895 0.71 RORC (0.43) MAPTALDH1A1MDM2L3MBTL1LMNA

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-2025016138-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SUZHOU EOC MEDICAL RESEARCH CO., LTD. (CN) 2025-01-23 WO disclosed