SCHEMBL9778585

SCHEMBL9778585

CCCCOC(C)c1ccc2c(c1C(=O)O)Cc1ccccc1O2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 1/20 0.35
TRPA1 O75762 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
RECQL P46063 2/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32

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
SCHEMBL9806630 0.90 TRPA1 (0.32) ACSL1TRPA1MAOAMAOBPOLB
SCHEMBL9871350 0.90 TRPA1 (0.40) TRPA1TP53TDP1HSD17B10
SCHEMBL9305640 0.90 PPARG (0.32) ACSL1TRPA1MAOAMAOBPOLB
SCHEMBL9806543 0.90 TRPA1 (0.32) ACSL1TRPA1MAOAMAOBPOLB
SCHEMBL9778781 0.89 ACSL1 (0.38) ACSL1MAOAMAOBRECQLKDM4E
SCHEMBL9870715 0.85 TRPA1 (0.40) ACSL1TRPA1TP53TDP1HSD17B10
SCHEMBL9870836 0.83 MAOA (0.39) ACSL1MAOAMAOBRECQLPOLB
SCHEMBL9778623 0.83 ACSL1 (0.35) ACSL1MAOAMAOBRECQLKDM4E
SCHEMBL9869434 0.82 ACSL1 (0.34) ACSL1MAOAMAOBMAPTPPARG
SCHEMBL9778939 0.82 TRPA1 (0.31) ACSL1TRPA1PPARG

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-5068375-A Substituted noble metal xanthates EXXON RESEARCH & ENGINEERING COMPANY (US) 1991-11-26 US claimed
US-5055211-A Lubricating oil containing a mixed ligand metal complex and a metal thiophosphate EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-10-08 US disclosed