SCHEMBL21455293

SCHEMBL21455293

CCOC(=O)Cc1cccc(OC)c1O/C(=C/C(=C(\C)O)c1cccc(CN)c1F)CC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.35
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CFD P00746 1/20 0.31
▸ PARP14 Q460N5 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31

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
SCHEMBL25917934 0.80 L3MBTL1 (0.37) DPP4LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL24200078 0.79 L3MBTL1 (0.35) L3MBTL1ALDH1A1HPGDCFDPARP14
SCHEMBL24199931 0.73 CFD (0.42) CFD
SCHEMBL24200255 0.72 KDM4E (0.36) DPP4MAPTMRGPRX4ALDH1A1HPGD
SCHEMBL21455821 0.71 L3MBTL1 (0.38) L3MBTL1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL25918811 0.71 L3MBTL1 (0.38) L3MBTL1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL24200072 0.71 CFD (0.38) DPP4LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL24200155 0.71 MRGPRX4 (0.35) L3MBTL1MRGPRX4ALDH1A1CFD
SCHEMBL21455292 0.71 L3MBTL1 (0.37) DPP4LMNAMAPTL3MBTL1RAB9A
SCHEMBL23617011 0.71 L3MBTL1 (0.35) LMNAMAPTL3MBTL1RAB9AALDH1A1

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
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