SCHEMBL9869663

SCHEMBL9869663

CC(C)OCCc1ccc2c(c1C(=O)O)Cc1ccccc1O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ACSL1 P33121 1/20 0.36
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX5 P09917 1/20 0.34
P2RX4 Q99571 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
KCNH2 Q12809 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL9806522 0.90 POLB (0.35) MAOAMAOBACSL1GAAPOLB
SCHEMBL9306026 0.90 POLB (0.35) MAOAMAOBACSL1GAAPOLB
SCHEMBL2421075 0.85 MAOA (0.39) MAOAMAOBACSL1POLBALOX5
SCHEMBL9870868 0.85 TRPA1 (0.40) HSD17B10CYP3A4TSHRLMNATDP1
SCHEMBL9868962 0.84 ACSL1 (0.39) MAOAMAOBACSL1HSD17B10TSHR
SCHEMBL2804823 0.84 MAOA (0.42) MAOAMAOBACSL1ALOX5PPARG
SCHEMBL5705630 0.83 MAOA (0.41) MAOAMAOBACSL1POLBALOX5
SCHEMBL2313646 0.82 MAOA (0.46) MAOAMAOBACSL1POLBALOX5
SCHEMBL135629 0.81 BID (0.43) MAOAMAOBHSD17B10PPARGPPARA
SCHEMBL6679495 0.81 PTGS1 (0.44) MAOAMAOBACSL1P2RX4LMNA

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