SCHEMBL5080192

SCHEMBL5080192

C=C(C)c1cccc(-c2cccc(C(=C)C)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.45
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
CREBBP Q92793 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.39
MAP4K4 O95819 1/20 0.39
CSNK1G2 P78368 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2135450 0.93 KMO (0.55) KMOPRSS1PRSS2PRSS3LMNA
SCHEMBL29066701 0.91 LMNA (0.45) KMOPRSS1PRSS2PRSS3LMNA
SCHEMBL167439 0.87 FURIN (0.43) LMNAHDAC8TDP1MAPTL3MBTL1
SCHEMBL4212859 0.86 RXRA (0.61) RXRARXRB
SCHEMBL5034612 0.84 BCL2 (0.54)
SCHEMBL16155815 0.84 MAPT (0.60) KMOLMNAGAABRD4BRD2
SCHEMBL6252421 0.84 FURIN (0.41) LMNATDP1MAPTL3MBTL1
SCHEMBL17421702 0.84 FURIN (0.41) LMNATDP1MAPTL3MBTL1
SCHEMBL30834584 0.84 FURIN (0.41) LMNATDP1MAPTL3MBTL1
SCHEMBL5034607 0.83 BCL2 (0.49) LMNAGAATDP1MAPT

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
US-7402646-B2 Polymerization of diisopropenylbenzene E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-22 US disclosed
US-20060270815-A1 Polymerization of diisopropenylbenzene E. I. DU PONT DE NEMOURS AND COMPANY 2006-11-30 US disclosed