SCHEMBL21455747

SCHEMBL21455747

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 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LTB4R Q15722 3/20 0.35
▸ LTB4R2 Q9NPC1 3/20 0.35
▸ MAPT P10636 5/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ USP2 O75604 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ GPR35 Q9HC97 2/20 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
SCHEMBL24200328 0.93 BACE1 (0.39) BACE1L3MBTL1ALDH1A1LTB4RLTB4R2
SCHEMBL23617054 0.88 BACE1 (0.38) BACE1L3MBTL1ALDH1A1LTB4RLTB4R2
SCHEMBL24199924 0.81 AGBL2 (0.37) LTB4RLTB4R2KDM4EHSD17B10GAA
SCHEMBL21455476 0.70 MAPT (0.35) L3MBTL1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL23617355 0.69 PDCD1 (0.38) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL21455194 0.67 TBXAS1 (0.45) L3MBTL1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL21455523 0.66 ALDH1A1 (0.37) L3MBTL1ALDH1A1MAPTHTTLMNA
SCHEMBL6357414 0.66 ALDH1A1 (0.54) L3MBTL1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL5556291 0.65 ALDH1A1 (0.60) BACE1L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21456031 0.65 HSD17B10 (0.46) ALDH1A1KDM4EMEN1KMT2AHSD17B10

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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