SCHEMBL9702192

SCHEMBL9702192

C=C=C(CN)COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.54
AOC3 Q16853 2/20 0.54
ALDH1A1 P00352 1/20 0.51
GRM4 Q14833 1/20 0.41
PPARD Q03181 2/20 0.40
PPARA Q07869 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MDH1 P40925 1/20 0.39
MDH2 P40926 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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 0.80 ESR1 (0.41) SLC6A2SLC6A3
SCHEMBL9703429 0.79 MAOB (0.49) MAOBAOC3TAAR1
SCHEMBL9702766 0.79 MAOB (0.44) MAOB
SCHEMBL9702021 0.78 MAOB (0.50) MAOBAOC3TAAR1
SCHEMBL9702170 0.78 MAOB (0.38) MAOBAOC3ALDH1A1
SCHEMBL12107925 0.73 MAOB (0.59) MAOBAOC3ALDH1A1PPARD
SCHEMBL1294612 0.73 MAOB (0.69) MAOBAOC3ALDH1A1
SCHEMBL1294618 0.73 MAOB (0.69) MAOBAOC3ALDH1A1
SCHEMBL1294616 0.73 MAOB (0.69) MAOBAOC3ALDH1A1
SCHEMBL9701873 0.73 MAOB (0.38) MAOBAOC3ALDH1A1PPARD

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