SCHEMBL9702021

SCHEMBL9702021

C=C=C(CN)COc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
AOC2 O75106 2/20 0.50
MAOA P21397 2/20 0.50
DAO P14920 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
ALOX15 P16050 1/20 0.47
AOC3 Q16853 3/20 0.46
LTA4H P09960 1/20 0.43
PLA2G2A P14555 1/20 0.43
FFAR1 O14842 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL9701922 0.84 ESR1 (0.41) LTA4H
SCHEMBL9702766 0.82 MAOB (0.44) MAOB
SCHEMBL9703429 0.82 MAOB (0.49) MAOBTAAR1AOC3KMT2A
SCHEMBL9702218 0.82 APP (0.43) TAAR1FFAR1
SCHEMBL9703320 0.82 AGXT (0.54) MEN1KMT2A
SCHEMBL9702170 0.81 MAOB (0.38) MAOBAOC2MAOADAOAOC3
SCHEMBL9702192 0.78 MAOB (0.54) MAOBTAAR1AOC3
SCHEMBL9701919 0.76 MEN1 (0.43) MEN1KMT2A
SCHEMBL9701657 0.76 AOC2 (0.55) MAOBAOC2MAOAALOX15MEN1
SCHEMBL9701873 0.76 MAOB (0.38) MAOBAOC2MAOADAOAOC3

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