SCHEMBL9806522

SCHEMBL9806522

CC(C)OCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.CC(C)OCCc1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.[Ni+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
TSHR P16473 2/20 0.31
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
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
SCHEMBL9306026 0.98 POLB (0.35) POLBHSD17B10MAOAMAOBACSL1
SCHEMBL9869663 0.90 MAOA (0.37) POLBHSD17B10MAOAMAOBACSL1
SCHEMBL9806531 0.86 MAOA (0.34) MAOAMAOBACSL1MAPTNAMPT
Potassium Ion SCHEMBL9306637 0.84 MEN1 (0.35) MAOAMAOBACSL1MAPTSMN1; SMN2
SCHEMBL9806586 0.84 ACSL1 (0.36) POLBHSD17B10MAOAMAOBACSL1
SCHEMBL9306535 0.83 MAOA (0.34) MAOAMAOBACSL1MAPTNAMPT
SCHEMBL640834 0.83 MAOA (0.42) POLBMAOAMAOBACSL1MAPT
SCHEMBL639835 0.83 MAOA (0.37) MAOAMAOBMAPT
Potassium Ion SCHEMBL9849901 0.82 MAOA (0.39) POLBMAOAMAOBACSL1P2RX4
Zinc Ion SCHEMBL15157997 0.82 MAOA (0.39) POLBMAOAMAOBACSL1P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5035815-A Synergistic, antiwear EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-07-30 US disclosed
US-5034142-A Wear resistant compositions for engines EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-07-23 US disclosed