SCHEMBL7697668

SCHEMBL7697668

c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.42
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 2/20 0.39
BCL2L1 Q07817 1/20 0.39
CYP2A6 P11509 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
ACHE P22303 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL5490061 0.92 ENPP1 (0.38) ENPP1ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL5497888 0.87 BACE1 (0.38) ENPP1ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL25957743 0.86 ACHE (0.45) ENPP1ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL20936 0.85 MAPT (0.48) ALDH1A1HSD17B10HPGDMAPK1GPR84
SCHEMBL2336005 0.85 MAPT (0.48) ALDH1A1HSD17B10HPGDMAPK1GPR84
SCHEMBL4939007 0.85 CRHBP (0.39) ENPP1ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL5442446 0.84 ACHE (0.43) ENPP1ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL3034568 0.84 ACHE (0.43) ENPP1ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL11562041 0.83 ACHE (0.46) ENPP1ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL4827519 0.83 ACHE (0.46) ENPP1ALDH1A1HSD17B10HPGDMAPK1

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
US-6339290-B1 Organic electroluminescent device and making method TDK CORPORATION (JP) 2002-01-15 US disclosed