SCHEMBL9806586

SCHEMBL9806586

O=C([O-])c1c(CCOc2ccccc2)ccc2c1Cc1ccccc1O2.O=C([O-])c1c(CCOc2ccccc2)ccc2c1Cc1ccccc1O2.[Ni+2]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
FFAR1 O14842 1/20 0.34
MAPT P10636 4/20 0.34
ALOX15 P16050 1/20 0.34
KCNA3 P22001 1/20 0.33
PTGER4 P35408 1/20 0.33
NAMPT P43490 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL9778579 0.98 ACSL1 (0.36) ACSL1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL9868962 0.91 ACSL1 (0.39) ACSL1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL9806522 0.84 POLB (0.35) ACSL1SMN1; SMN2TSHRHSD17B10MAOB
SCHEMBL9806531 0.83 MAOA (0.34) ACSL1MAOBMAOAMAPTNAMPT
SCHEMBL9306026 0.82 POLB (0.35) ACSL1SMN1; SMN2TSHRHSD17B10MAOB
Potassium Ion SCHEMBL9306637 0.82 MEN1 (0.35) ACSL1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL9869675 0.81 TRPA1 (0.39) SMN1; SMN2RAB9ANPC1TSHRMAPT
SCHEMBL9306535 0.81 MAOA (0.34) ACSL1MAOBMAOAMAPTNAMPT
SCHEMBL640834 0.81 MAOA (0.42) ACSL1MAOBMAOAMAPTPOLB
SCHEMBL639835 0.81 MAOA (0.37) MAOBMAOAMAPT

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