SCHEMBL31453592

SCHEMBL31453592

CCOC(=O)/C=C/C(=O)N(c1ccc(F)c(Cl)c1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
TACR1 P25103 4/20 0.39
SLC6A4 P31645 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLQ O75417 1/20 0.39
PTGIR P43119 2/20 0.38
NPY2R P49146 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD11B1 P28845 1/20 0.36

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
SCHEMBL8627403 0.83 TACR1 (0.38) ALDH1A1TACR1SLC6A4LMNASMN1; SMN2
SCHEMBL8624620 0.83 TACR1 (0.38) ALDH1A1TACR1SLC6A4LMNASMN1; SMN2
SCHEMBL31453677 0.82 ALDH1A1 (0.45) ALDH1A1MAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL31453537 0.81 MAPT (0.43) ALDH1A1MAPTLMNASMN1; SMN2POLQ
SCHEMBL31453640 0.80 ALDH1A1 (0.43) ALDH1A1MAPTLMNAPOLQL3MBTL1
SCHEMBL31453702 0.80 ALDH1A1 (0.43) ALDH1A1MAPTLMNAPOLQL3MBTL1
SCHEMBL9847870 0.78 ALDH1A1 (0.43) ALDH1A1MAPTTACR1SLC6A4POLQ
SCHEMBL31453555 0.78 MAPT (0.42) ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL8626320 0.75 ALDH1A1 (0.40) ALDH1A1MAPTLMNASMN1; SMN2POLQ
SCHEMBL31453570 0.73 MAPT (0.41) ALDH1A1MAPTLMNAPTGIRL3MBTL1

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