SCHEMBL31620896

SCHEMBL31620896

COC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCN2C(=O)C=Cc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 11/20 0.53
▸ LMNA P02545 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KCNH2 Q12809 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ APP P05067 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL31620888 1.00 GPR183 (0.53) GPR183LMNANPC1MAPTHDAC1
SCHEMBL31620871 0.90 ALDH1A1 (0.52) GPR183LMNANPC1MAPTALDH1A1
SCHEMBL31620933 0.90 ALDH1A1 (0.52) GPR183LMNANPC1MAPTALDH1A1
SCHEMBL31620940 0.88 P4HB (0.48) LMNAMAPTHDAC1HDAC6ALDH1A1
SCHEMBL31620924 0.87 TRPV1 (0.49) LMNAMAPTHDAC1HDAC6ALDH1A1
SCHEMBL31620910 0.87 ALDH1A1 (0.50) LMNANPC1MAPTHDAC1HDAC6
SCHEMBL31620900 0.84 GPR183 (0.46) GPR183LMNANPC1ALDH1A1GAA
SCHEMBL31620866 0.82 ALDH1A1 (0.44) GPR183LMNANPC1MAPTALDH1A1
SCHEMBL31620932 0.82 ALDH1A1 (0.51) LMNAMAPTALDH1A1GAAHPGD
SCHEMBL31620905 0.81 HDAC1 (0.53) NPC1MAPTHDAC1HDAC6ALDH1A1

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
CN-120136796-A Alpha, beta unsaturated ketone derivative and preparation method and application thereof 河南大学 2025-06-13 — — CN disclosed
Send feedback