SCHEMBL4401126

SCHEMBL4401126

Cc1ccc(P(=O)(CP(=O)(c2ccccc2)c2ccc(C)cc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.59
HPGD P15428 1/20 0.56
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 2/20 0.51
MAPT P10636 2/20 0.50
ALPG P10696 1/20 0.50
ALOX12 P18054 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
USP2 O75604 1/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL28945161 0.85 ALDH1A1 (0.54) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL5570426 0.85 ALDH1A1 (0.64) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20462898 0.85 CYP3A4 (0.58) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL83200 0.81 HPGD (0.61) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL4403188 0.81 HPGD (0.61) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL4402281 0.81 HPGD (0.61) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL5159485 0.81 HPGD (0.85) GAAHPGDMEN1KMT2AL3MBTL1
SCHEMBL17928368 0.81 HPGD (0.61) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL21119469 0.81 CYP3A4 (0.53) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL21119444 0.79 HTT (0.50) GAAHPGDALDH1A1MEN1KMT2A

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