SCHEMBL5329588

SCHEMBL5329588

O=[C]C(=O)c1ccc2cccc3c4cccc5cccc(c1c23)c54

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP1A2 P05177 5/20 0.45
HSD17B10 Q99714 5/20 0.45
HPGD P15428 4/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
WDR5 P61964 1/20 0.37
LDHA P00338 1/20 0.36
MEN1 O00255 3/20 0.36
TSHR P16473 2/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL12806754 0.82 ALDH1A1 (0.52) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL3793802 0.81 ALDH1A1 (0.40) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL29675165 0.80 HSD17B10 (0.55) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL781875 0.80 HSD17B10 (0.55) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL29627281 0.79 ALDH1A1 (0.48) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL20472165 0.79 ALDH1A1 (0.48) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL5424908 0.79 ALDH1A1 (0.48) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL28687360 0.79 HSD17B10 (0.53) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL2023857 0.79 ALDH1A1 (0.38) ALDH1A1CYP1A2HSD17B10HPGDTHRB
SCHEMBL29438469 0.77 ALDH1A1 (0.47) ALDH1A1CYP1A2HSD17B10HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007138161-A COLORING COMPOSITION FOR IMAGE RECORDING, IMAGE-RECORDING INK AND IMAGE RECORDING METHOD DAINICHISEIKA COLOR & CHEM MFG CO LTD 2007-06-07 JP disclosed
CN-1297611-C Perylene pigment compositions SUN CHEMICAL INC (US) 2007-01-31 CN disclosed
JP-2006039581-A COLORED COMPOSITION FOR IMAGE RECORDING DAINICHISEIKA COLOR & CHEM MFG CO LTD 2006-02-09 JP disclosed
CN-1527864-A Perylene pigment compositions ̫��ѧ 2004-09-08 CN disclosed
JP-2000103982-A COLOR COMPOSITION FOR IMAGE RECORDING DAINICHISEIKA COLOR & CHEM MFG CO LTD 2000-04-11 JP disclosed