SCHEMBL27640925

SCHEMBL27640925

COC(=O)C(CCl)c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.68
ESR2 Q92731 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.47
MIF P14174 3/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ESRRB O95718 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 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
SCHEMBL7716645 0.84 ESR1 (0.70) ESR1ESR2L3MBTL1MIFMMP2
SCHEMBL4677491 0.84 KMT2A (0.58) ESR1ESR2L3MBTL1LMNAKMT2A
SCHEMBL8912123 0.82 ESR1 (0.68) ESR1ESR2L3MBTL1MIFMMP2
SCHEMBL8912131 0.82 ESR1 (0.68) ESR1ESR2L3MBTL1MIFMMP2
SCHEMBL27640939 0.82 ESR1 (0.68) ESR1ESR2L3MBTL1MIFMMP2
SCHEMBL8914122 0.82 ESR1 (0.68) ESR1ESR2L3MBTL1MIFMMP2
SCHEMBL8914136 0.82 ESR1 (0.68) ESR1ESR2L3MBTL1MIFMMP2
SCHEMBL6390975 0.81 ESR1 (0.66) ESR1ESR2L3MBTL1MIFMMP2
SCHEMBL30978104 0.79 ESR1 (0.64) ESR1ESR2L3MBTL1MIFMMP2
SCHEMBL10388122 0.79 ESR1 (0.64) ESR1ESR2L3MBTL1MIFMMP2

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
CN-1735408-A Receptor function controlling agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-15 CN disclosed