SCHEMBL4742918

SCHEMBL4742918

CCCCOc1ccc2c(c1C(=O)O)Cc1ccccc1O2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.39
ALOX5 P09917 2/20 0.39
ACSL1 P33121 1/20 0.38
S1PR5 Q9H228 1/20 0.38
PTPN11 Q06124 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
PTGES O14684 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 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
SCHEMBL4742287 0.95 PTPN11 (0.43) S1PR5PTPN11ALDH1A1HPGDCYSLTR2
SCHEMBL4742265 0.95 PTPN11 (0.43) S1PR5PTPN11ALDH1A1HPGDCYSLTR2
SCHEMBL4747022 0.95 PTPN11 (0.43) S1PR5PTPN11ALDH1A1HPGDCYSLTR2
SCHEMBL4742255 0.95 PTPN11 (0.43) S1PR5PTPN11ALDH1A1HPGDCYSLTR2
SCHEMBL4746080 0.95 PTPN11 (0.43) S1PR5PTPN11ALDH1A1HPGDCYSLTR2
SCHEMBL4746963 0.95 PTPN11 (0.43) S1PR5PTPN11ALDH1A1HPGDCYSLTR2
SCHEMBL4745086 0.95 PTPN11 (0.43) S1PR5PTPN11ALDH1A1HPGDCYSLTR2
SCHEMBL4743732 0.95 PTPN11 (0.43) S1PR5PTPN11ALDH1A1HPGDCYSLTR2
SCHEMBL4746926 0.95 PTPN11 (0.43) S1PR5PTPN11ALDH1A1HPGDCYSLTR2
SCHEMBL4742288 0.94 PTPN11 (0.42) S1PR5PTPN11ALDH1A1HPGDCYSLTR2

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