SCHEMBL8557822

SCHEMBL8557822

Cn1c(=O)ccc2ccc[c]c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 6/20 0.50
BRD4 O60885 3/20 0.50
BRD9 Q9H8M2 3/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
KAT2B Q92831 1/20 0.50
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
BLM P54132 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
BRD1 O95696 2/20 0.31
BRPF3 Q9ULD4 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 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
SCHEMBL9208233 0.77 MAPT (0.50) ALDH1A1
SCHEMBL9205092 0.77 CDK4 (0.37) BRPF1BRD4BRD9CA12CA9
SCHEMBL21831808 0.71 KDM4E (0.32) KDM4EALDH1A1LMNA
SCHEMBL1419206 0.69 NQO2 (0.34) CDK4CCND1
SCHEMBL1451027 0.69 BRPF1 (0.50) BRPF1BRD4BRD9CA12CA9
SCHEMBL1450408 0.68 L3MBTL1 (0.34) KDM4EALDH1A1LMNA
SCHEMBL29967380 0.67 BRPF1 (1.00) BRPF1BRD4BRD9CA12CA9
SCHEMBL248619 0.67 BRPF1 (1.00) BRPF1BRD4BRD9CA12CA9
SCHEMBL3377086 0.67 CA12 (0.32) BRPF1BRD4BRD9CA12CA9
SCHEMBL2593917 0.67 PIK3CD (0.39) BRPF1BRD4BRD9CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP claimed
EP-0462812-B1 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP claimed
EP-0462830-B1 Cyclic ether derivatives ZENECA LTD (GB) 1995-10-18 EP claimed
EP-0420511-B1 Heterocyclic derivatives ICI PLC (GB) 1994-08-17 EP claimed