SCHEMBL7322973

SCHEMBL7322973

[N-]=[N+]=CC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.55
GPR34 Q9UPC5 7/20 0.51
MMP9 P14780 2/20 0.51
MMP8 P22894 2/20 0.51
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
PPARA Q07869 2/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
LTA4H P09960 1/20 0.46

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
SCHEMBL7322984 1.00 PPARG (0.55) PPARGGPR34MMP9MMP8MME
SCHEMBL18862971 0.88 ALDH1A1 (0.52) MMP9MMP8MME
SCHEMBL6927025 0.88 ALDH1A1 (0.52) MMP9MMP8MME
SCHEMBL10538691 0.88 ALDH1A1 (0.52) MMP9MMP8MME
SCHEMBL13537631 0.86 BCL2 (0.58) PPARGACEPPARA
SCHEMBL8814267 0.83 LDHA (0.49) MMP9MMP8
SCHEMBL8814268 0.83 LDHA (0.49) MMP9MMP8
SCHEMBL16333610 0.81 CTSK (0.44) MMP9MMP8
SCHEMBL10944953 0.81 TACR1 (0.57)
SCHEMBL30515231 0.81 TACR1 (0.57)

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-5492910-A AIDS TREATMENT BRISTOL-MYERS SQUIBB CO. (US) 1996-02-20 US disclosed