SCHEMBL31453537

SCHEMBL31453537

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
POLQ O75417 3/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
XPO1 O14980 1/20 0.38
TSHR P16473 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
SCHEMBL31453677 0.86 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL31453740 0.85 MAPT (0.42) MAPTALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL31453640 0.83 ALDH1A1 (0.43) MAPTALDH1A1L3MBTL1POLQLMNA
SCHEMBL31453702 0.83 ALDH1A1 (0.43) MAPTALDH1A1L3MBTL1POLQLMNA
SCHEMBL798178 0.82 TSHR (0.49) ALDH1A1POLQCYP3A4NPC1RAB9A
SCHEMBL31453592 0.81 ALDH1A1 (0.40) MAPTALDH1A1L3MBTL1POLQLMNA
SCHEMBL31453555 0.81 MAPT (0.42) MAPTALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL8627774 0.81 ALDH1A1 (0.40) MAPTALDH1A1L3MBTL1POLQLMNA
SCHEMBL8628786 0.81 ALDH1A1 (0.40) MAPTALDH1A1L3MBTL1POLQLMNA
SCHEMBL9302078 0.79 ALDH1A1 (0.48) ALDH1A1POLQCYP3A4NPC1RAB9A

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