SCHEMBL28469372

SCHEMBL28469372

CCCc1ccc(OP(=O)(C(=O)c2c(Cl)cccc2Cl)C(=O)c2c(Cl)cccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KMT2A Q03164 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39

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
SCHEMBL15824404 0.92 PLK1 (0.49) PLK1THRBALDH1A1PPARAKMT2A
SCHEMBL4264438 0.82 GAA (0.43) PLK1SMN1; SMN2SENP8SENP7SENP6
SCHEMBL57873 0.79 GAA (0.43) PLK1SMN1; SMN2SENP8SENP7SENP6
SCHEMBL76776 0.71 PLK1 (0.49) PLK1THRBALDH1A1
SCHEMBL1100625 0.71 BLM (0.58) PLK1SMN1; SMN2THRBALDH1A1POLB
SCHEMBL3758445 0.71 THRB (0.46) PLK1SMN1; SMN2SENP8SENP7SENP6
SCHEMBL1592157 0.70 CYP3A4 (0.54) PLK1SMN1; SMN2RAB9ATHRBALDH1A1
SCHEMBL7607626 0.70 ITGB1 (0.51) PLK1ALDH1A1GAAKDM4EPOLB
SCHEMBL29045013 0.70 BLM (0.56) PLK1SMN1; SMN2RAB9ATHRBALDH1A1
SCHEMBL57370 0.69 PLK1 (0.56) PLK1MAPTTHRBALDH1A1KDM4E

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-111712523-A Ophthalmic product composition 默克专利股份有限公司 2020-09-25 CN disclosed