SCHEMBL27745872

SCHEMBL27745872

COP(=O)(O)Oc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
BTN3A1 O00481 2/20 0.37
GPR84 Q9NQS5 1/20 0.36
CYP1A2 P05177 4/20 0.35
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL21969523 0.90 GPR84 (0.42) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL5682245 0.84 KMT2A (0.38) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL4521607 0.83 INPPL1 (0.48) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL27692904 0.81 KMT2A (0.35) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL9973244 0.80 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL30332098 0.80 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL27947558 0.77 MAPT (0.43) ALDH1A1HPGDHSD17B10CYP3A4TSHR
Pyrene SCHEMBL251380 0.75 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL28876097 0.74 HPGD (0.40) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL2351815 0.74 HPGD (0.54) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101341026-B Method for making lithographic printing plate AGFA GRAPHICS NV 2010-05-19 CN disclosed
CN-101341026-A Method for making lithographic printing plate AGFA GRAPHICS NV (BE) 2009-01-07 CN disclosed