SCHEMBL8870510

SCHEMBL8870510

O=C(Cc1ccco1)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3ccc4c(c3)oc3cc(CO)ccc34)CS[C@H]12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ CA5A P35218 1/20 0.42
▸ SPOP O43791 7/20 0.42
▸ TDP1 Q9NUW8 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ NR1I2 O75469 3/20 0.39
▸ PGR P06401 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A8 Q8TCC7 1/20 0.38

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
SCHEMBL8673740 1.00 MAPK1 (0.43) MAPK1CA5ASPOPTDP1MAPT
SCHEMBL8868325 0.94 SPOP (0.42) MAPK1CA5ASPOPTDP1MAPT
SCHEMBL8670220 0.94 SPOP (0.42) MAPK1CA5ASPOPTDP1MAPT
SCHEMBL8671192 0.90 MAPK1 (0.54) MAPK1CA5ASPOPTDP1MAPT
SCHEMBL8674886 0.90 MAPK1 (0.54) MAPK1CA5ASPOPTDP1MAPT
SCHEMBL8669790 0.85 MAPK1 (0.39) MAPK1CA5ASPOPTDP1MAPT
SCHEMBL8869057 0.85 MAPK1 (0.39) MAPK1CA5ASPOPTDP1MAPT
SCHEMBL8674906 0.84 TDP1 (0.60) MAPK1SPOPTDP1MAPTPOLB
SCHEMBL8876120 0.84 TDP1 (0.60) MAPK1SPOPTDP1MAPTPOLB
SCHEMBL8869065 0.84 MAPK1 (0.54) MAPK1CA5ASPOPTDP1MAPT

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-5604218-A EXHIBITS ACTIVITY AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-02-18 — — US disclosed
US-5593986-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS, INC. (US) 1997-01-14 — — US disclosed
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