SCHEMBL4652541

SCHEMBL4652541

c1ccc(-c2ccc(-c3cccc4c(-c5ccc6ccccc6c5)c5ccccc5cc34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
GPR84 Q9NQS5 3/20 0.46
ESR1 P03372 5/20 0.41
ESR2 Q92731 5/20 0.41
SOS1 Q07889 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
HSD17B1 P14061 4/20 0.41
HSD17B2 P37059 4/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL31457378 0.92 ALOX5 (0.50) ALOX5GPR84ESR1ESR2SOS1
SCHEMBL27846365 0.89 ALOX5 (0.45) ALOX5GPR84ESR1ESR2SOS1
SCHEMBL22992959 0.88 GPR84 (0.46) ALOX5GPR84SOS1HSD17B1HSD17B2
SCHEMBL27789679 0.87 ALOX5 (0.49) ALOX5GPR84ESR1ESR2SOS1
SCHEMBL5955641 0.87 ESR1 (0.49) ALOX5GPR84ESR1ESR2SOS1
SCHEMBL25508709 0.85 GSTP1 (0.43) ALOX5GPR84ESR1ESR2SOS1
Biphenyl SCHEMBL21517643 0.85 ALOX5 (0.56) ALOX5GPR84ESR1ESR2CA1
SCHEMBL8130287 0.84 GPR84 (0.46) GPR84ESR1ESR2SOS1HSD17B1
SCHEMBL28798066 0.84 CA12 (0.51) ESR1ESR2CA12CA1CA2
SCHEMBL22534398 0.84 PIM1 (0.45) ALOX5GPR84ESR1ESR2SOS1

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-1973984-A1 ELECTROLUMINESCENT DEVICE INCLUDING A GALLIUM COMPLEX EASTMAN KODAK COMPANY (US) 2008-10-01 EP disclosed
WO-2007084269-A1 ELECTROLUMINESCENT DEVICE INCLUDING A GALLIUM COMPLEX EASTMAN KODAK COMPANY (US) 2007-07-26 WO disclosed