SCHEMBL14527894

SCHEMBL14527894

C=Cc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.40
▸ PELI1 Q96FA3 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ BCL2L1 Q07817 1/20 0.35
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ NR2F2 P24468 1/20 0.31
▸ NTSR1 P30989 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ LMNA P02545 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
SCHEMBL12216704 0.87 BACE1 (0.52) BACE1PELI1ALDH1A1HPGDHSD17B10
SCHEMBL14255576 0.79 BACE1 (0.43) BACE1PELI1ALDH1A1HPGDHSD17B10
SCHEMBL12239726 0.78 BACE1 (0.42) BACE1PELI1ALDH1A1HPGDHSD17B10
SCHEMBL12861800 0.77 BACE1 (0.47) BACE1PELI1ALDH1A1HPGDHSD17B10
SCHEMBL12920788 0.76 RAB9A (0.40) BACE1PELI1ALDH1A1HPGDHSD17B10
SCHEMBL13911035 0.76 MEN1 (0.44) BACE1ALDH1A1HSD17B1HSD17B2NPC1
SCHEMBL14626397 0.76 FYN (0.41) BACE1PELI1MAOAMAOB
SCHEMBL13911037 0.75 BACE1 (0.39) BACE1PELI1ALDH1A1HPGDHSD17B10
SCHEMBL13877529 0.72 QDPR (0.36) BACE1PELI1ALDH1A1HPGDKDM4E
SCHEMBL28089479 0.72 BACE1 (0.48) BACE1PELI1ALDH1A1HPGDHSD17B10

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-1343157-B1 Optical recording medium FUJIFILM CORP (JP) 2007-05-23 — — EP disclosed
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