SCHEMBL21189884

SCHEMBL21189884

COC(=O)c1ccc(C(=O)Oc2ccc(-c3ccc(OC(=O)c4ccc(C(=O)OC)cc4)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.64
CA2 P00918 3/20 0.64
ACR P10323 3/20 0.63
HGFAC Q04756 1/20 0.63
PRSS1 P07477 1/20 0.61
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 3/20 0.58
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
CA7 P43166 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
STS P08842 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL12895907 0.94 CA1 (0.75) CA1CA2ACRHGFACPRSS1
SCHEMBL16751100 0.94 CA1 (0.75) CA1CA2ACRHGFACPRSS1
SCHEMBL16573857 0.94 CA1 (0.75) CA1CA2ACRHGFACPRSS1
SCHEMBL7518320 0.94 CA1 (0.72) CA1CA2ACRHGFACPRSS1
SCHEMBL12023304 0.93 TDP1 (0.69) CA1CA2ACRHGFACPRSS1
SCHEMBL14346594 0.93 TDP1 (0.69) CA1CA2ACRHGFACPRSS1
SCHEMBL16425786 0.93 TDP1 (0.69) CA1CA2ACRHGFACPRSS1
SCHEMBL15382238 0.93 TSHR (0.66) CA1CA2ACRHGFACPRSS1
SCHEMBL14346590 0.93 TDP1 (0.69) CA1CA2ACRHGFACPRSS1
SCHEMBL16425787 0.93 TDP1 (0.69) CA1CA2ACRHGFACPRSS1

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-2020078938-A1 DIELECTRIC COPOLYMER MATERIALS MERCK PATENT GMBH (DE) 2020-04-23 WO disclosed
WO-2019141833-A1 DIELECTRIC MATERIALS MERCK PATENT GMBH (DE) 2019-07-25 WO disclosed