SCHEMBL4054451

SCHEMBL4054451

Cc1c(OP(=O)(O)O)cccc1-c1ccnnn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ INPPL1 O15357 8/20 0.45
▸ INPP5A Q14642 5/20 0.45
▸ INPP5B P32019 2/20 0.45
▸ AKT1 P31749 1/20 0.37
▸ SRC P12931 5/20 0.36
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTR2A P28223 2/20 0.30
▸ HTR2C P28335 2/20 0.30
▸ HTR2B P41595 2/20 0.30
▸ FBP1 P09467 1/20 0.30
▸ HTR1A P08908 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
SCHEMBL4054446 0.81 INPPL1 (0.45) INPPL1INPP5AINPP5BAKT1SRC
SCHEMBL12483491 0.80 ACHE (0.46) MAPTKDM4EUSP2ALDH1A1HPGD
SCHEMBL12484088 0.76 POLB (0.35) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1445778 0.73 CNR2 (0.43) MAPTKDM4EALDH1A1HPGD
SCHEMBL27931086 0.72 INPPL1 (0.50) INPPL1INPP5AINPP5BAKT1SRC
SCHEMBL4054448 0.70 INPPL1 (0.45) INPPL1INPP5AINPP5BAKT1SRC
SCHEMBL29429257 0.69 MAPT (0.67) INPPL1INPP5AINPP5BAKT1SRC
SCHEMBL759513 0.69 MAPT (0.67) INPPL1INPP5AINPP5BAKT1SRC
SCHEMBL28975051 0.69 MAPK1 (0.47) MAPTKDM4EUSP2ALDH1A1HPGD
SCHEMBL148972 0.68 RAB9A (0.48) MAPTKDM4EALDH1A1HPGDHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009148192-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2009-12-10 — — WO claimed
WO-2023210716-A1 LIVER FIBROSIS THERAPEUTIC REGIMEN FOR CBP/CATENIN INHIBITOR 地方独立行政法人東京都立病院機構 2023-11-02 — — WO disclosed
WO-2009148192-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2009-12-10 — — WO disclosed
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