SCHEMBL9306760

SCHEMBL9306760

CCCCC(CC)COc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.CCCCC(CC)COc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.[Pt+2]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 3/20 0.40
CA2 P00918 3/20 0.40
LMNA P02545 3/20 0.38
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
MAPK1 P28482 3/20 0.36
TSHR P16473 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
ATM Q13315 1/20 0.34
PPARG P37231 3/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARA Q07869 2/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL9806556 0.98 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL4745047 0.90 ALDH1A1 (0.41) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL9779018 0.83 ALDH1A1 (0.38) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL15158109 0.81 CA2 (0.37) ALDH1A1CYP3A4CA2LMNAPRSS1
Potassium Ion SCHEMBL1913954 0.81 TSHR (0.36) ALDH1A1CYP3A4CA2LMNAPRSS1
Zinc Ion SCHEMBL15157996 0.81 TSHR (0.36) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL9869717 0.76 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL9989723 0.76 TSHR (0.38) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL15463358 0.75 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
Potassium SCHEMBL11342382 0.75 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5278121-A Nonsupported catalyst of highly dispersed molybdenum sulfide promoted with noble metal sulfide such that noble metal is in oxidation state greater than 0 and coordinated to S EXXON RESEARCH & ENGINEERING COMPANY (US) 1994-01-11 US disclosed
US-5252199-A Molybdenum and noble metal sulfides EXXON RESEARCH & ENGINEERING COMPANY (US) 1993-10-12 US disclosed
EP-0532287-A1 Coal liquefaction process EXXON RESEARCH AND ENGINEERING COMPANY (US) 1993-03-17 EP disclosed
US-5152885-A Catalytic hydrodenitrogenization, hydrodesulfurization, deoxygenation using supported noble metal complexes having sulfur-containing ligands EXXON RESEARCH AND ENGINEERING COMPANY (US) 1992-10-06 US disclosed
US-5086027-A Noble metal precursor is complex of metal with ligand EXXON RESEARCH AND ENGINEERING COMPANY (US) 1992-02-04 US disclosed