SCHEMBL4655276

SCHEMBL4655276

C1CCC(C2CCCC2)[C](C2CCCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL18274776 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL18240335 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL10413624 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL5302811 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL8529809 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL7761924 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL11231757 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL5271505 0.98 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL551505 0.95 NOS3 (0.34) NOS3NOS1NOS2ALDH1A1MEN1
SCHEMBL6079563 0.95 NOS3 (0.32) NOS3NOS1NOS2KDM4EPOLB

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
EP-1986598-A1 UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE Merck Patent GmbH (DE) 2008-11-05 EP disclosed
WO-2007093252-A1 UV FILTER CAPSULES COMPRISING AN AMINOSUBSTITUTED HYDROXYBENZOPHENONE MERCK PATENT GMBH (DE) 2007-08-23 WO disclosed