SCHEMBL22787196

SCHEMBL22787196

CN/N=C(\C)c1ccc(OCCCC(=O)O)cn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 11/20 0.45
▸ CYP4A11 Q02928 11/20 0.45
▸ PLA2G4B P0C869 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38

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
SCHEMBL22773732 0.82 CYP4F2 (0.49) CYP4F2CYP4A11PLA2G4BL3MBTL1GAA
SCHEMBL22787195 0.81 LMNA (0.39) CYP4F2CYP4A11L3MBTL1GAAPDE2A
SCHEMBL22787130 0.81 LMNA (0.39) CYP4F2CYP4A11L3MBTL1GAAPDE2A
SCHEMBL29526638 0.81 LMNA (0.39) CYP4F2CYP4A11L3MBTL1GAAPDE2A
SCHEMBL21098734 0.76 PPARD (0.53) —
SCHEMBL22787237 0.74 MAPT (0.43) L3MBTL1
SCHEMBL13980911 0.73 MAPT (0.55) CYP4F2CYP4A11PLA2G4BL3MBTL1PPARA
SCHEMBL15382193 0.71 L3MBTL1 (0.50) PLA2G4BL3MBTL1GAA
SCHEMBL31448501 0.70 PPARA (0.65) PLA2G4BL3MBTL1GAAPPARA
SCHEMBL18611552 0.70 HTR1B (0.47) L3MBTL1GAA

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-2020248065-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-17 — — WO disclosed
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