SCHEMBL28020171

SCHEMBL28020171

O=C(O)c1ccc2cc3c(O)ccc(O)c3cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
MAPT P10636 2/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
PTGS2 P35354 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
RARB P10826 3/20 0.53
RARG P13631 3/20 0.53
LCK P06239 1/20 0.50
HTT P42858 1/20 0.47
PTPN11 Q06124 2/20 0.46
RNASEH1 O60930 1/20 0.46

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
SCHEMBL3391297 0.85 LCK (0.67) KDM4EMAPTCA12CA1CA2
SCHEMBL29779941 0.85 LCK (0.67) KDM4EMAPTCA12CA1CA2
SCHEMBL28020170 0.83 LCK (0.64) KDM4EMAPTCA12CA1CA2
SCHEMBL8736492 0.83 KDM4E (0.63) KDM4EMAPTCA12CA1CA2
SCHEMBL29451113 0.83 KDM4E (0.63) KDM4EMAPTCA12CA1CA2
SCHEMBL1552467 0.83 KDM4E (0.63) KDM4EMAPTCA12CA1CA2
SCHEMBL1951984 0.83 KDM4E (0.63) KDM4EMAPTCA12CA1CA2
SCHEMBL1551731 0.83 KDM4E (0.63) KDM4EMAPTCA12CA1CA2
SCHEMBL258253 0.83 KDM4E (0.63) KDM4EMAPTCA12CA1CA2
SCHEMBL6916181 0.82 KDM4E (0.68) KDM4EMAPTCA12CA1CA2

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-104726237-A Yellow-spot-removing dry cleaning agent SHANGHAI PENGGANG IND DEV CO LTD 2015-06-24 CN disclosed