SCHEMBL23617054

SCHEMBL23617054

C=C/C=C\OC(C)Oc1cc(N(CC)CC)ccc1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ RXRA P19793 2/20 0.34
▸ RXRB P28702 2/20 0.34
▸ RXRG P48443 2/20 0.34
▸ LTB4R Q15722 3/20 0.33
▸ LTB4R2 Q9NPC1 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ RARB P10826 1/20 0.30
▸ RARG P13631 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL24200328 0.90 BACE1 (0.39) BACE1L3MBTL1ALDH1A1RXRARXRB
SCHEMBL21455747 0.88 BACE1 (0.38) BACE1L3MBTL1ALDH1A1RXRARXRB
SCHEMBL23616699 0.72 MAPK1 (0.33) L3MBTL1
SCHEMBL24199924 0.69 AGBL2 (0.37) LTB4RLTB4R2KDM4EHSD17B10GAA
SCHEMBL23616929 0.69 TBXAS1 (0.43) L3MBTL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL20449091 0.67 BACE1 (0.44) BACE1L3MBTL1ALDH1A1RXRARXRB
SCHEMBL21455434 0.65 AGBL2 (0.41) L3MBTL1RXRAMAPTMEN1KMT2A
SCHEMBL21455754 0.64 HSD17B10 (0.54) KDM4EMAPTMEN1KMT2AHSD17B10
SCHEMBL6357414 0.64 ALDH1A1 (0.54) L3MBTL1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL5556291 0.63 ALDH1A1 (0.60) BACE1L3MBTL1ALDH1A1SMN1; SMN2KDM4E

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
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 — — EP disclosed
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