SCHEMBL9701657

SCHEMBL9701657

C=C=C(CN)COc1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
ALOX15 P16050 1/20 0.45
NOTUM Q6P988 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN4A P35499 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 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
SCHEMBL9701919 0.81 MEN1 (0.43) NPSR1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9700908 0.78 HTR1B (0.57) NPSR1MAPTMEN1LMNAKMT2A
SCHEMBL9702039 0.76 SMN1; SMN2 (0.47) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL9702021 0.76 MAOB (0.50) AOC2MAOAMAOBALOX15MEN1
SCHEMBL5786743 0.72 NOTUM (0.51) AOC2MAOAMAOBNOTUMNPSR1
Ethylene SCHEMBL27514111 0.71 ALOX15 (0.51) AOC2MAOAMAOBALOX15NOTUM
SCHEMBL3528979 0.71 KDM4E (0.68) AOC2MAOAMAOBALOX15MAPT
SCHEMBL3238659 0.70 ALOX15 (0.55) AOC2MAOAMAOBALOX15NOTUM
SCHEMBL1395765 0.70 HTT (0.61) AOC2MAOAMAOBNOTUMNPSR1
SCHEMBL27383228 0.70 SMN1; SMN2 (0.59) NOTUMNPSR1MAPTMEN1LMNA

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