SCHEMBL9702766

SCHEMBL9702766

C=C=C(CN)COc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.44
ALDH3A1 P30838 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATF4 P18848 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
PTGS2 P35354 1/20 0.39

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) PTGS2
SCHEMBL9703429 0.83 MAOB (0.49) MAOBMAPT
SCHEMBL9702021 0.82 MAOB (0.50) MAOB
SCHEMBL9702170 0.81 MAOB (0.38) MAOBSMN1; SMN2MAPTHPGD
SCHEMBL9702192 0.79 MAOB (0.54) MAOB
SCHEMBL9701873 0.76 MAOB (0.38) MAOBSMN1; SMN2MAPTHPGD
SCHEMBL9703320 0.76 AGXT (0.54) POLBHPGDRAB9A
SCHEMBL9701919 0.73 MEN1 (0.43) SMN1; SMN2POLBMAPTHPGDRAB9A
SCHEMBL9702218 0.72 APP (0.43)
SCHEMBL10506665 0.71 ATF4 (0.47) SMN1; SMN2ATF4POLBMAPTHPGD

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