SCHEMBL14130804

SCHEMBL14130804

CCOP(=O)(OCC)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC1 Q13547 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6829825 0.85 TDP1 (0.49) TDP1MEN1KMT2ACA1CA2
SCHEMBL11448557 0.85 MEN1 (0.44) HMGCRHDAC1MEN1KMT2ACA1
SCHEMBL2958029 0.83 TDP1 (0.40) TDP1HDAC1MEN1KMT2ACA1
SCHEMBL29034893 0.81 HMGCR (0.43) HMGCRTDP1HDAC1EPHX2NR1H4
SCHEMBL14809201 0.81 MEN1 (0.40) HMGCRTDP1HDAC1MEN1KMT2A
SCHEMBL9407115 0.79 TDP1 (0.45) TDP1HDAC1MEN1KMT2ACA1
SCHEMBL12229746 0.79 NPSR1 (0.45) HMGCRMEN1KMT2ACA1CA2
SCHEMBL16243953 0.79 CNR2 (0.46) TDP1HDAC1MEN1KMT2AEPHX2
SCHEMBL20782044 0.78 CCNT1 (0.41) TDP1HDAC1MEN1KMT2ACA1
SCHEMBL107781 0.78 HPGD (0.48) TDP1MEN1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100453620-C Flame retardant phosphonate additives for thermoplastic materials RHODIA (US) 2009-01-21 CN disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 US disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 US disclosed
CN-100384937-C Polylactic acid resin composition NISSAN CHEMICAL IND LTD (JP) 2008-04-30 CN disclosed
CN-1938378-A Polylactic acid resin composition NISSAN CHEMICAL IND LTD (JP) 2007-03-28 CN disclosed
CN-1833015-A Flame retardant phosphonate additives for thermoplastics RHODIA (US) 2006-09-13 CN disclosed