SCHEMBL9703429

SCHEMBL9703429

C=C=C(CN)COc1ccc(OC)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.49
AOC3 Q16853 1/20 0.49
TAAR1 Q96RJ0 1/20 0.43
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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) LMNA
SCHEMBL9701873 0.83 MAOB (0.38) MAOBAOC3GAALMNAMAPT
SCHEMBL9702766 0.83 MAOB (0.44) MAOBMAPT
SCHEMBL9702021 0.82 MAOB (0.50) MAOBAOC3TAAR1KMT2A
SCHEMBL9700886 0.82 CA12 (0.47) TAAR1GAALMNAMAPTKMT2A
SCHEMBL9702170 0.81 MAOB (0.38) MAOBAOC3GAALMNAMAPT
SCHEMBL9701935 0.79 TAAR1 (0.52) MAOBTAAR1
SCHEMBL9702192 0.79 MAOB (0.54) MAOBAOC3TAAR1
SCHEMBL9702039 0.76 SMN1; SMN2 (0.47) TAAR1GAALMNAMAPTKMT2A
SCHEMBL9703320 0.76 AGXT (0.54) LMNAKMT2A

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