SCHEMBL20575014

SCHEMBL20575014

CCP(=O)([O-])CCC1CCCC1.CCP(=O)([O-])CCC1CCCC1.CCP(=O)([O-])CCC1CCCC1.[Al+3]

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
METAP1 P53582 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 1/20 0.30
HSD11B1 P28845 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL20575088 0.82 CYP1A2 (0.52) CYP1A2METAP1SIGMAR1MMP1MMP2
SCHEMBL18893732 0.73 METAP1 (0.43) CYP1A2METAP1SIGMAR1MMP1MMP2
SCHEMBL18893731 0.72 METAP1 (0.46) CYP1A2METAP1SIGMAR1MMP1MMP2
SCHEMBL20575013 0.72 METAP1 (0.42) CYP1A2METAP1SIGMAR1MMP1MMP2
SCHEMBL8405559 0.68 L3MBTL1 (0.31)
SCHEMBL2518034 0.67 TSHR (0.30)
SCHEMBL191929 0.67 TSHR (0.33)
SCHEMBL7921857 0.66 METAP1 (0.52) CYP1A2METAP1SIGMAR1MMP1MMP2
SCHEMBL7805193 0.66 METAP1 (0.57) CYP1A2METAP1SIGMAR1MMP1MMP2
SCHEMBL19974194 0.65 CYP1A2 (0.50) CYP1A2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180346739-A1 POLYMERIC FLAME RETARDANT MIXTURES CLARIANT PLASTICS & COATINGS LTD (CH) 2018-12-06 US disclosed