SCHEMBL8459762

SCHEMBL8459762

CC(C(=O)OBr)c1ccc(O)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.44
MET P08581 2/20 0.43
ESR1 P03372 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
MT-CO2 P00403 1/20 0.41
ALOX15 P16050 1/20 0.38
CYP19A1 P11511 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RNASEH1 O60930 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL31614294 0.87 MT-CO2 (0.55) FOLH1METESR1MEN1GAA
SCHEMBL27640937 0.87 MT-CO2 (0.55) FOLH1METESR1MEN1GAA
SCHEMBL27823628 0.82 MET (0.47) FOLH1METESR1MEN1GAA
SCHEMBL1202580 0.81 AKR1C3 (0.47) FOLH1METMEN1GAAKMT2A
SCHEMBL11077471 0.74 ALOX15 (0.50) FOLH1METESR1MEN1GAA
SCHEMBL1438719 0.74 GAA (0.57) FOLH1MEN1GAAKMT2AALOX15
SCHEMBL8459765 0.73 FOLH1 (0.50) FOLH1METESR1MEN1GAA
SCHEMBL28833648 0.73 GAA (0.42) FOLH1METESR1MEN1GAA
SCHEMBL11463161 0.72 AKR1C3 (0.49) FOLH1METMEN1GAAKMT2A
SCHEMBL23693310 0.72 ALOX15 (0.48) MEN1GAAKMT2AALOX15CYP19A1

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
EP-0906315-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
WO-1997049710-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-31 WO disclosed