SCHEMBL13001990

SCHEMBL13001990

C#CCOc1cc(/C=C/C=O)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.61
TRPA1 O75762 1/20 0.55
MTNR1A P48039 1/20 0.55
XDH P47989 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
NFE2L2 Q16236 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
FDPS P14324 1/20 0.43

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
SCHEMBL13001991 0.94 TRPA1 (0.62) PDE4BTRPA1MTNR1AXDHSMN1; SMN2
SCHEMBL433948 0.85 ALDH1A1 (0.64) PDE4BSMN1; SMN2LMNAMAPTHTT
SCHEMBL22916227 0.82 PDE4B (0.59) PDE4BSMN1; SMN2MAPTALDH1A1CA12
SCHEMBL22916132 0.82 PDE4B (0.59) PDE4BSMN1; SMN2MAPTALDH1A1CA12
3,4-Dimethoxy Cinnamaldehyde SCHEMBL3000359 0.82 XDH (0.72) TRPA1MTNR1AXDHSMN1; SMN2MAPT
3,4-Dimethoxy Cinnamaldehyde SCHEMBL563071 0.82 XDH (0.72) TRPA1MTNR1AXDHSMN1; SMN2MAPT
SCHEMBL20117684 0.81 FDPS (0.65) PDE4BSMN1; SMN2LMNAMAPTHTT
SCHEMBL29924333 0.80 FDPS (0.69) PDE4BSMN1; SMN2LMNAMAPTHTT
SCHEMBL1231147 0.80 FDPS (0.69) PDE4BSMN1; SMN2LMNAMAPTHTT
SCHEMBL25201579 0.79 PDE4B (0.60) PDE4BTRPA1MTNR1AXDHSMN1; SMN2

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-9839640-B2 Methods of treating eye diseases associated with inflammation and vascular proliferation OCCURX PTY LTD (AU) 2017-12-12 US disclosed
WO-2010144959-A1 ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-12-23 WO disclosed