SCHEMBL9702170

SCHEMBL9702170

C=C=C(CN)COc1ccc(SO)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.38
AOC3 Q16853 4/20 0.38
AOC2 O75106 3/20 0.35
MAOA P21397 3/20 0.35
HPGD P15428 3/20 0.35
DAO P14920 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
WDR5 P61964 1/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FFAR1 O14842 1/20 0.30
PTPRZ1 P23471 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
SCHEMBL9701873 0.84 MAOB (0.38) MAOBAOC3AOC2MAOAHPGD
SCHEMBL9701922 0.83 ESR1 (0.41) LMNA
SCHEMBL9703429 0.81 MAOB (0.49) MAOBAOC3MAPTLMNAGAA
SCHEMBL9702766 0.81 MAOB (0.44) MAOBHPGDMAPTSMN1; SMN2
SCHEMBL9702021 0.81 MAOB (0.50) MAOBAOC3AOC2MAOADAO
SCHEMBL9702192 0.78 MAOB (0.54) MAOBAOC3ALDH1A1
SCHEMBL9703320 0.74 AGXT (0.54) HPGDALDH1A1LMNANPSR1
SCHEMBL9702218 0.71 APP (0.43) FFAR1
SCHEMBL9700898 0.70 FKBP1A (0.49) MAOBMAOAHPGDMAPTSMN1; SMN2
SCHEMBL9700886 0.68 CA12 (0.47) HPGDMAPTSMN1; SMN2ALDH1A1LMNA

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
US-5120764-A Administering penicillamine and allenylamines to inhibit crosslinking of collagen MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-09 US disclosed
EP-0374440-A2 Inhibitors of lysyl oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-27 EP disclosed