SCHEMBL6138912

SCHEMBL6138912

COC(=O)[C@H](OS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ FDFT1 P37268 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ AR P10275 1/20 0.37
▸ ACLY P53396 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ ABCB11 O95342 1/20 0.36

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
SCHEMBL5673266 0.86 KDM4E (0.41) MAPK1FLT1FLT4KDRKDM4E
SCHEMBL7492506 0.86 KDM4E (0.41) MAPK1FLT1FLT4KDRKDM4E
SCHEMBL6139230 0.84 PSEN1 (0.43) FLT1FLT4KDRKDM4EALDH1A1
SCHEMBL28824902 0.84 PSEN1 (0.43) FLT1FLT4KDRKDM4EALDH1A1
SCHEMBL2169427 0.81 ABCB11 (0.39) MAPTALDH1A1ABCB11
SCHEMBL28560399 0.81 ABCB11 (0.39) MAPTALDH1A1ABCB11
SCHEMBL26301826 0.81 ABCB11 (0.39) MAPTALDH1A1ABCB11
SCHEMBL6139499 0.78 EPHX2 (0.39) MAPTALDH1A1RAB9AHTTABCB11
SCHEMBL28046418 0.78 ALDH1A1 (0.51) MAPTALDH1A1L3MBTL1HPGD
SCHEMBL28555501 0.78 LMNA (0.42) KDM4EMAPTALDH1A1HTTABCB11

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
US-6894186-B2 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates SANOFI-SYNTHELABO (FR) 2005-05-17 — — US claimed
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