SCHEMBL4742913

SCHEMBL4742913

CCC(C)Oc1ccc2c(c1C(=O)O)Cc1ccccc1O2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CXCR5 P32302 1/20 0.36
ACSL1 P33121 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK8 P45983 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL4745471 0.83 CXCR5 (0.42) ALOX5MAOAMAOBCXCR5ACSL1
SCHEMBL4746982 0.83 KDM4E (0.36) ALOX5ACSL1LMNA
SCHEMBL4742293 0.81 ALOX5 (0.55) ALOX5MAOAMAOBACSL1
SCHEMBL4742918 0.80 CA9 (0.39) ALOX5MAOAMAOBACSL1
SCHEMBL2313646 0.79 MAOA (0.46) ALOX5MAOAMAOBACSL1L3MBTL1
SCHEMBL4746926 0.78 PTPN11 (0.43) LMNA
SCHEMBL4747022 0.78 PTPN11 (0.43) LMNA
SCHEMBL4743732 0.78 PTPN11 (0.43) LMNA
SCHEMBL4742255 0.78 PTPN11 (0.43) LMNA
SCHEMBL4745086 0.78 PTPN11 (0.43) LMNA

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