SCHEMBL8933006

SCHEMBL8933006

O=C(O)COc1ccc2cc(C(=O)O)c(=O)oc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.70
MAOB P27338 5/20 0.63
CA12 O43570 3/20 0.61
CA1 P00915 3/20 0.61
CA5A P35218 3/20 0.61
CA7 P43166 3/20 0.61
CA5B Q9Y2D0 3/20 0.61
CA4 P22748 2/20 0.61
CA2 P00918 2/20 0.61
ALDH1A1 P00352 7/20 0.59
HPGD P15428 4/20 0.59
KDM4E B2RXH2 4/20 0.59
GAA P10253 2/20 0.59
HSD17B10 Q99714 2/20 0.59
MAPT P10636 2/20 0.59
TP53 P04637 1/20 0.59
GLA P06280 1/20 0.59
MAPK1 P28482 1/20 0.59
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57

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
SCHEMBL17704676 0.86 ALDH1A1 (0.75) SLC16A3MAOBCA12CA1CA5A
SCHEMBL15616856 0.86 ALDH1A1 (0.78) SLC16A3MAOBALDH1A1HPGDKDM4E
SCHEMBL30382891 0.84 SLC16A3 (0.72) SLC16A3MAOBCA12CA1CA5A
SCHEMBL30383052 0.84 SLC16A3 (0.72) SLC16A3MAOBCA12CA1CA5A
SCHEMBL28999678 0.84 SLC16A3 (0.72) SLC16A3MAOBCA12CA1CA5A
SCHEMBL28999673 0.84 SLC16A3 (0.72) SLC16A3MAOBCA12CA1CA5A
SCHEMBL11502161 0.83 MAOB (0.76) SLC16A3MAOBCA12CA1CA5A
SCHEMBL93260 0.83 SLC16A3 (1.00) SLC16A3MAOBCA12CA1CA5A
SCHEMBL6418716 0.83 SLC16A3 (0.71) SLC16A3MAOBCA12CA1CA5A
SCHEMBL203997 0.81 SLC16A3 (1.00) SLC16A3MAOBCA12CA1CA5A

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
WO-1996023813-A1 PEPTIDES AND COMPOUNDS THAT BIND TO SH2 DOMAINS AFFYMAX TECHNOLOGIES N.V. (AN) 1996-08-08 WO disclosed