SCHEMBL21455716

SCHEMBL21455716

C=C(NC)/C(Br)=C\C(CC)Oc1ccccc1CC(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ITGA4 P13612 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL24200212 0.84 ALDH1A1 (0.40) L3MBTL1PKMALDH1A1HTTLMNA
SCHEMBL21455427 0.83 TBXAS1 (0.42) TBXAS1L3MBTL1PKMUSP2ALDH1A1
SCHEMBL21455691 0.78 TBXAS1 (0.42) TBXAS1L3MBTL1PKMUSP2ALDH1A1
SCHEMBL24199914 0.76 TBXAS1 (0.39) TBXAS1L3MBTL1PKMUSP2ALDH1A1
SCHEMBL21455539 0.73 TBXAS1 (0.36) TBXAS1L3MBTL1PKMALDH1A1MAPT
SCHEMBL21455800 0.73 TBXAS1 (0.35) TBXAS1L3MBTL1PKMCYP4F2CYP4A11
SCHEMBL24200170 0.73 TBXAS1 (0.42) TBXAS1L3MBTL1PKMUSP2ALDH1A1
SCHEMBL24200089 0.72 TBXAS1 (0.42) TBXAS1L3MBTL1PKMUSP2ALDH1A1
SCHEMBL24200223 0.72 TBXAS1 (0.40) TBXAS1L3MBTL1PKMUSP2ALDH1A1
SCHEMBL25899417 0.72 TBXAS1 (0.40) TBXAS1L3MBTL1PKMUSP2ALDH1A1

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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