SCHEMBL8828092

SCHEMBL8828092

COc1nc2cc(Cl)cc(Cl)c2cc1P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HRH4 Q9H3N8 2/20 0.31
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL8637396 0.74 PTGES (0.36) HRH4KDM4EGSK3AGSK3BDYRK1A
SCHEMBL7367919 0.67 MERTK (0.38) MMP1MMP2MMP3NPC1RAB9A
SCHEMBL8612392 0.66 NR4A2 (0.33) ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL8872967 0.64 TSHR (0.40) ALDH1A1HPGDTSHRHTTSMN1; SMN2
SCHEMBL8828083 0.63 MMP1 (0.42) MMP1MMP2MMP3ALDH1A1KDM4E
SCHEMBL8828095 0.61 GRIN1 (0.49) ALDH1A1HSD17B10KDM4E
SCHEMBL11651582 0.61 ALDH1A1 (0.41) RAB9AALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL7675179 0.60 HRH4 (0.56) MMP1MMP2MMP3HRH4KMT2A
SCHEMBL6306591 0.59 HRH4 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL5973850 0.59 POLB (0.37) HRH4KDM4EKMT2AMEN1GSK3A

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 2 patents. 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
US-5536709-A INHIBITORS OF HYPERACTIVATION OF EXCITATORY AMINO ACIDS ADIR ET COMPAGNIE (FR) 1996-07-16 US disclosed