SCHEMBL4746982

SCHEMBL4746982

CC(C)Oc1ccc2c(c1C(=O)O)Cc1ccccc1O2.CCCOc1ccc2c(c1C(=O)O)Cc1ccccc1O2.[Mo]

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX5 P09917 1/20 0.34
AKR1C3 P42330 1/20 0.34
CA9 Q16790 2/20 0.33
ACSL1 P33121 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL4742918 0.86 CA9 (0.39) ALDH1A1ALOX5CA9ACSL1PPARA
SCHEMBL4746036 0.85 PTPN11 (0.42) ALDH1A1LMNAKMT2A
SCHEMBL4742288 0.85 PTPN11 (0.42) ALDH1A1LMNAKMT2A
SCHEMBL4745086 0.84 PTPN11 (0.43) ALDH1A1LMNAKMT2A
SCHEMBL4746963 0.84 PTPN11 (0.43) ALDH1A1LMNAKMT2A
SCHEMBL4746080 0.84 PTPN11 (0.43) ALDH1A1LMNAKMT2A
SCHEMBL4742255 0.84 PTPN11 (0.43) ALDH1A1LMNAKMT2A
SCHEMBL4743732 0.84 PTPN11 (0.43) ALDH1A1LMNAKMT2A
SCHEMBL4746926 0.84 PTPN11 (0.43) ALDH1A1LMNAKMT2A
SCHEMBL4747022 0.84 PTPN11 (0.43) ALDH1A1LMNAKMT2A

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
WO-2008113814-A1 ORGANIC MOLYBDENUM COMPOUNDS, USE THEREOF AS FRICTION- MODIFIERS AND LUBRICATING COMPOSITIONS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-09-25 WO disclosed