SCHEMBL7868067

SCHEMBL7868067

CCC[C@@H]([C@H](COCc1ccccc1)C(=O)O)N(O)C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
FOLH1 Q04609 1/20 0.39
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.37
PPARA Q07869 1/20 0.37
TLL1 O43897 1/20 0.37
BMP1 P13497 1/20 0.37
MMP12 P39900 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
SCHEMBL7879180 0.89 CTSB (0.39) SLC1A1FOLH1SLC1A3SLC1A2MEN1
SCHEMBL7879214 0.83 SLC1A3 (0.49) SLC1A1SLC1A3SLC1A2CYP1A2MME
SCHEMBL7387885 0.80 TLL1 (0.42) CYP1A2CYP2C9CYP2C19ACEPPARA
SCHEMBL7868080 0.79 TLL1 (0.43) TLL1BMP1MMP12TLL2
SCHEMBL7874813 0.74 PPARG (0.44) SLC1A1SLC1A3SLC1A2MEN1KMT2A
SCHEMBL16898430 0.74 CTRC (0.39)
SCHEMBL16898433 0.74 CTRC (0.39)
SCHEMBL7874826 0.73 CTSB (0.42) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL5941631 0.73 SLC1A1 (0.61) SLC1A1CA1CA2CA7CA9
SCHEMBL5941636 0.73 SLC1A1 (0.61) SLC1A1CA1CA2CA7CA9

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-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed