SCHEMBL4401222

SCHEMBL4401222

Cc1ccc(C)c(P(C)(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
ESR1 P03372 1/20 0.47
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HCRTR1 O43613 1/20 0.41
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ACP3 P15309 1/20 0.39
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL15565247 0.85 TSHR (0.48) HPGDESR1HTTMAPTKDM4E
SCHEMBL4401114 0.85 POLB (0.50) HPGDHTTMAPTKDM4EPOLB
SCHEMBL25797392 0.85 HPGD (0.48) HPGDESR1HTTMAPTKDM4E
SCHEMBL25797505 0.79 ESR1 (0.54) HPGDESR1MEN1KMT2ACA2
SCHEMBL25797391 0.79 ESR1 (0.54) HPGDESR1MEN1KMT2ACA2
SCHEMBL3787009 0.79 ESR1 (0.54) HPGDESR1MEN1KMT2ACA2
SCHEMBL30085199 0.79 ESR1 (0.54) HPGDESR1MEN1KMT2ACA2
SCHEMBL4403108 0.77 HPGD (0.41) HPGDHTTMEN1KMT2AHCRTR1
SCHEMBL22695474 0.76 MEN1 (0.52) HPGDHTTMAPTKDM4EMEN1
SCHEMBL967941 0.75 LMNA (0.48) HTTMEN1KMT2AHCRTR1ACP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed