SCHEMBL4742287

SCHEMBL4742287

CCCCCCCCCCCCCCOc1ccc2c(c1C(=O)O)Cc1ccccc1O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
S1PR5 Q9H228 1/20 0.43
CYSLTR2 Q9NS75 2/20 0.42
CYSLTR1 Q9Y271 2/20 0.42
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PTPN1 P18031 1/20 0.41
LTB4R Q15722 1/20 0.40

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
SCHEMBL4747022 1.00 PTPN11 (0.43) PTPN11ALDH1A1HPGDS1PR5CYSLTR2
SCHEMBL4745086 1.00 PTPN11 (0.43) PTPN11ALDH1A1HPGDS1PR5CYSLTR2
SCHEMBL4742265 1.00 PTPN11 (0.43) PTPN11ALDH1A1HPGDS1PR5CYSLTR2
SCHEMBL4746080 1.00 PTPN11 (0.43) PTPN11ALDH1A1HPGDS1PR5CYSLTR2
SCHEMBL4743732 1.00 PTPN11 (0.43) PTPN11ALDH1A1HPGDS1PR5CYSLTR2
SCHEMBL4746963 1.00 PTPN11 (0.43) PTPN11ALDH1A1HPGDS1PR5CYSLTR2
SCHEMBL4742255 1.00 PTPN11 (0.43) PTPN11ALDH1A1HPGDS1PR5CYSLTR2
SCHEMBL4746926 1.00 PTPN11 (0.43) PTPN11ALDH1A1HPGDS1PR5CYSLTR2
SCHEMBL4746036 0.99 PTPN11 (0.42) PTPN11ALDH1A1HPGDS1PR5CYSLTR2
SCHEMBL4742288 0.99 PTPN11 (0.42) PTPN11ALDH1A1HPGDS1PR5CYSLTR2

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