SCHEMBL4476906

SCHEMBL4476906

[CH]=C(c1cc[c]cc1)c1cccc(OCCC(C)CCCC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.41
FDPS P14324 2/20 0.39
ALOX5 P09917 1/20 0.39
GGPS1 O95749 1/20 0.39
MAOB P27338 1/20 0.39
PRSS1 P07477 9/20 0.36
KMT2A Q03164 1/20 0.35
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PRSS2 P07478 1/20 0.34
C1S P09871 1/20 0.34
PRSS3 P35030 1/20 0.34
GALR3 O60755 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL3430758 0.87 MAPK1 (0.46) NR1H4FDPSALOX5GGPS1KMT2A
SCHEMBL1956966 0.79 NR1H4 (0.46) NR1H4FDPSALOX5GGPS1MAOB
SCHEMBL29006675 0.77 NR1H4 (0.50) NR1H4FDPSALOX5GGPS1MAOB
SCHEMBL8424803 0.77 NR1H4 (0.50) NR1H4FDPSALOX5GGPS1MAOB
SCHEMBL658916 0.77 FDPS (0.47) FDPSALOX5GGPS1
SCHEMBL13502288 0.75 FDPS (0.45) NR1H4FDPSALOX5GGPS1GALR3
SCHEMBL15344596 0.74 NR1H4 (0.67) NR1H4KMT2A
SCHEMBL3614168 0.72 FDPS (0.43) FDPSALOX5GGPS1
SCHEMBL2151820 0.72 KDM4E (0.49) FDPSALOX5GGPS1MAOBKMT2A
SCHEMBL2152427 0.72 FDPS (0.43) NR1H4FDPSALOX5GGPS1KMT2A

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-0975710-B2 POLYMER ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2009-06-10 EP claimed
US-6458909-B1 SOLID-STATE LIGHT SOURCES FOR A SERIES OF APPLICATIONS, PREDOMINANTLY IN THE FIELD OF DISPLAY ELEMENTS HOECHST AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed