SCHEMBL21455539

SCHEMBL21455539

CCOC(=O)Cc1ccccc1OC(/C=C(\C)NCC1CC1)CC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTR4 Q13639 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PTBP1 P26599 1/20 0.33

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
SCHEMBL21455427 0.80 TBXAS1 (0.42) TBXAS1PKML3MBTL1ALDH1A1
SCHEMBL24199904 0.75 TBXAS1 (0.43) TBXAS1PKMHPGDGAAL3MBTL1
SCHEMBL21455691 0.74 TBXAS1 (0.42) TBXAS1PKML3MBTL1ALDH1A1
SCHEMBL21455716 0.73 TBXAS1 (0.37) TBXAS1PKMHPGDL3MBTL1ALDH1A1
SCHEMBL21455759 0.71 L3MBTL1 (0.40) TBXAS1PKMHPGDKDM4EL3MBTL1
SCHEMBL23616962 0.71 TBXAS1 (0.46) TBXAS1PKMKDM4EL3MBTL1ALDH1A1
SCHEMBL23425588 0.70 TBXAS1 (0.47) TBXAS1PKMHPGDL3MBTL1ALDH1A1
SCHEMBL23241478 0.70 TBXAS1 (0.47) TBXAS1PKMHPGDL3MBTL1ALDH1A1
SCHEMBL7888801 0.70 TBXAS1 (0.49) TBXAS1PKMKDM4EGAAL3MBTL1
SCHEMBL24200170 0.69 TBXAS1 (0.42) TBXAS1PKMHPGDL3MBTL1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 — — WO disclosed
Send feedback