SCHEMBL9870836

SCHEMBL9870836

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ALOX5 P09917 1/20 0.38
ACSL1 P33121 1/20 0.37
ABCC4 O15439 1/20 0.33
PTGS1 P23219 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX4 Q99571 2/20 0.32
GSR P00390 1/20 0.32
MAPKAPK2 P49137 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
Potassium Ion SCHEMBL9778635 0.88 MAOA (0.37) MAOAMAOBACSL1P2RX4MAPKAPK2
SCHEMBL9778638 0.88 MAOA (0.37) MAOAMAOBACSL1P2RX4MAPKAPK2
SCHEMBL2314251 0.87 MAOA (0.43) MAOAMAOBALOX5ACSL1ABCC4
SCHEMBL9778781 0.87 ACSL1 (0.38) MAOAMAOBALOX5ACSL1RECQL
SCHEMBL15519791 0.86 MAOA (0.42) MAOAMAOBALOX5ACSL1ABCC4
SCHEMBL9778623 0.83 ACSL1 (0.35) MAOAMAOBALOX5ACSL1RECQL
SCHEMBL9778585 0.83 ACSL1 (0.35) MAOAMAOBACSL1TP53POLB
SCHEMBL9869831 0.81 TRPA1 (0.40) TP53TDP1
SCHEMBL9869434 0.81 ACSL1 (0.34) MAOAMAOBACSL1
SCHEMBL9871151 0.80 TSHR (0.42) TP53POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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