SCHEMBL9617442

SCHEMBL9617442

C=CCC1=C(C)C(=O)C(C)=C(C=C(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ APEX1 P27695 2/20 0.33
▸ PGR P06401 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ PKM P14618 1/20 0.30

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
SCHEMBL3171268 0.77 MAOB (0.33) MAOB
SCHEMBL14087623 0.74 APEX1 (0.39) APEX1
SCHEMBL12262878 0.74 APEX1 (0.36) APEX1
SCHEMBL9027782 0.74 MAOB (0.33) MAOBLMNAPGRHTR1AADORA3
SCHEMBL11874455 0.69 IDO1 (0.51) LMNAAPEX1PGRMAPTMAPK1
SCHEMBL11358426 0.66 MAOB (0.53) MAOBLMNAPGRHTR1AADORA3
SCHEMBL13227495 0.64 APEX1 (0.68) LMNAAPEX1PGRMAPTMAPK1
SCHEMBL14507710 0.63 DUSP3 (0.45) MAOBMAPTPTGS1PKM
SCHEMBL3186176 0.62 CYP3A4 (0.35) —
SCHEMBL14407313 0.62 LMNA (0.62) MAOBLMNAPGRHTR1AADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4036260-A — — None — — JP disclosed
JP-H0436260-A PROPENE DERIVATIVE FUJIREBIO INC 1992-02-06 — — JP disclosed
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