SCHEMBL10246468

SCHEMBL10246468

C=C(c1cc(C(=O)C(C)C)cc(C(=O)C(C)C)c1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
DBH P09172 1/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
FFAR1 O14842 1/20 0.39
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL9962964 0.85 GAA (0.56) KDM4EDBHGAARECQLFFAR1
SCHEMBL22549048 0.78 GAA (0.50) KDM4EDBHGAARECQLFFAR1
SCHEMBL16256439 0.76 KDM4E (0.54) KDM4EDBHGAARECQLFFAR1
SCHEMBL20630226 0.76 KDM4E (0.48) KDM4EDBHGAARECQLFFAR1
SCHEMBL13921549 0.76 KDM4E (0.48) KDM4EDBHGAARECQLFFAR1
SCHEMBL23476588 0.76 KDM4E (0.48) KDM4EDBHGAARECQLFFAR1
SCHEMBL9965888 0.76 KDM4E (0.48) KDM4EDBHGAARECQLFFAR1
SCHEMBL24671657 0.74 RECQL (0.47) KDM4EDBHGAARECQLFFAR1
SCHEMBL22548929 0.73 GAA (0.50) KDM4EDBHGAARECQLFFAR1
SCHEMBL22548781 0.73 KDM4E (0.45) KDM4EDBHGAARECQLFFAR1

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-9193678-B2 Chemical agents capable of forming covalent 3-D networks OXFORD ADVANCED SURFACES LTD (GB) 2015-11-24 US disclosed
US-20120021223-A1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS OXFORD ADVANCED SURFACES LTD. (GB) 2012-01-26 US disclosed