SCHEMBL9306026

SCHEMBL9306026

CC(C)OCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.CC(C)OCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.[Pt+2]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ACSL1 P33121 1/20 0.32
P2RX4 Q99571 1/20 0.32
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
KCNH2 Q12809 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL9806522 0.98 POLB (0.35) POLBHSD17B10MAOAMAOBACSL1
SCHEMBL9869663 0.90 MAOA (0.37) POLBHSD17B10MAOAMAOBACSL1
SCHEMBL9306535 0.86 MAOA (0.34) MAOAMAOBACSL1MAPTNAMPT
Potassium Ion SCHEMBL9306637 0.84 MEN1 (0.35) MAOAMAOBACSL1MAPTSMN1; SMN2
SCHEMBL9778579 0.84 ACSL1 (0.36) POLBHSD17B10MAOAMAOBACSL1
SCHEMBL9806531 0.83 MAOA (0.34) MAOAMAOBACSL1MAPTNAMPT
Zinc Ion SCHEMBL15157997 0.82 MAOA (0.39) POLBMAOAMAOBACSL1P2RX4
SCHEMBL10581962 0.82 MAOA (0.39) POLBMAOAMAOBACSL1P2RX4
Potassium Ion SCHEMBL9849901 0.82 MAOA (0.39) POLBMAOAMAOBACSL1P2RX4
SCHEMBL9806586 0.82 ACSL1 (0.36) POLBHSD17B10MAOAMAOBACSL1

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