SCHEMBL8828083

SCHEMBL8828083

CCOc1nc2cc(Cl)c(Cl)cc2cc1P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
GLP1R P43220 1/20 0.34
PDE4D Q08499 3/20 0.33
PDE4B Q07343 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8642261 0.74 PTGES (0.37) ALDH1A1GAAGLP1RPDE4DKDM4E
SCHEMBL11395208 0.67 GLP1R (0.45) ALDH1A1GAAGLP1RKDM4EMAPT
SCHEMBL8613290 0.65 GAA (0.33) ALDH1A1GAAGLP1RKDM4EL3MBTL1
SCHEMBL8828092 0.63 MMP1 (0.36) MMP1MMP2MMP3ALDH1A1KDM4E
SCHEMBL30681926 0.62 GLP1R (0.50) ALDH1A1GAAGLP1RKDM4EMAPT
SCHEMBL10584242 0.59 L3MBTL1 (0.57) ALDH1A1GAAPDE4DKDM4EMAPT
SCHEMBL18556056 0.59 L3MBTL1 (0.42) ALDH1A1GAAPDE4DPDE4BKDM4E
SCHEMBL8644436 0.58 MMP1 (0.44) MMP1MMP2MMP3
SCHEMBL18556070 0.57 L3MBTL1 (0.43) ALDH1A1GAAPDE4DPDE4BKDM4E
SCHEMBL17069359 0.57 RORC (0.42) PDE4DPDE4B

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-5646132-A TREATING CEREBRAL ISCHEMIA ADIR ET COMPAGNIE (FR) 1997-07-08 US disclosed