SCHEMBL8575027

SCHEMBL8575027

CCc1ccc(C=CC(=O)O)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK2 P19525 1/20 0.47
▸ CSNK2A2 P19784 1/20 0.47
▸ CSNK2B P67870 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ EGFR P00533 1/20 0.46
▸ PTGS2 P35354 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ AKR1C3 P42330 3/20 0.41
▸ MIF P14174 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ TBXA2R P21731 3/20 0.40
▸ PTGER3 P43115 3/20 0.40
▸ PTGER2 P43116 3/20 0.40
▸ PTGDR Q13258 3/20 0.40
▸ PTGER4 P35408 2/20 0.40
▸ PTGFR P43088 2/20 0.40

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
SCHEMBL5893724 0.85 EGFR (0.64) EIF2AK2CSNK2A2CSNK2BCSNK2A1EGFR
SCHEMBL5893730 0.85 EGFR (0.64) EIF2AK2CSNK2A2CSNK2BCSNK2A1EGFR
SCHEMBL3685249 0.83 EGFR (0.53) EIF2AK2CSNK2A2CSNK2BCSNK2A1EGFR
SCHEMBL3685251 0.83 EGFR (0.53) EIF2AK2CSNK2A2CSNK2BCSNK2A1EGFR
SCHEMBL9613260 0.82 ESR1 (0.55) EGFRPTGS2SMN1; SMN2AKR1C3MIF
SCHEMBL9390825 0.81 PTGER3 (0.52) EGFRPTGS2SMN1; SMN2MIFALDH1A1
SCHEMBL26186761 0.78 EIF2AK2 (0.51) EIF2AK2CSNK2A2CSNK2BCSNK2A1SMN1; SMN2
SCHEMBL5448079 0.78 EIF2AK2 (0.55) EIF2AK2CSNK2A2CSNK2BCSNK2A1EGFR
SCHEMBL8125136 0.77 EGFR (0.50) EGFRPTGS2SMN1; SMN2AKR1C3MIF
SCHEMBL8125134 0.77 EGFR (0.50) EGFRPTGS2SMN1; SMN2AKR1C3MIF

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
WO-1997044316-A9 CATALYTIC ASYMMETRIC AMINOHYDROXYLATION OF OLEFINS WITH SULFONAMIDES — 1998-04-09 — — WO disclosed
WO-1997044316-A1 CATALYTIC ASYMMETRIC AMINOHYDROXYLATION OF OLEFINS WITH SULFONAMIDES THE SCRIPPS RESEARCH INSTITUTE (US) 1997-11-27 — — WO disclosed
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