SCHEMBL10431978

SCHEMBL10431978

c1ccc(COC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.50
SLC6A4 P31645 5/20 0.50
SLC6A3 Q01959 5/20 0.50
TSHR P16473 3/20 0.50
SCN1A P35498 3/20 0.48
SCN2A Q99250 3/20 0.48
SCN3A Q9NY46 3/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
THPO P40225 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
ADRA2B P18089 1/20 0.48
CHRM3 P20309 1/20 0.48
HRH2 P25021 1/20 0.48
HTR2A P28223 1/20 0.48

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
SCHEMBL28488082 0.86 CHRM2 (0.54) SLC6A2SLC6A4SLC6A3TSHRSCN1A
SCHEMBL28505841 0.86 CHRNB2 (0.65) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL28495568 0.86 KDM4E (0.47) SLC6A2SLC6A4SLC6A3TSHRSCN1A
SCHEMBL28498632 0.86 SLC6A3 (0.54) SLC6A2SLC6A4SLC6A3TSHRLMNA
SCHEMBL6669519 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHRSCN1A
SCHEMBL257770 0.84 CA4 (0.42) SLC6A2SLC6A4SLC6A3SCN1ASCN2A
SCHEMBL3932308 0.82 LTA4H (0.58) SIGMAR1IDO1
SCHEMBL1446635 0.81 MAPK1 (0.51) SLC6A2SLC6A4SLC6A3TSHRSCN1A
SCHEMBL4002591 0.81 POLB (0.42) SLC6A2SLC6A4SLC6A3TSHRLMNA
SCHEMBL28375315 0.81 IDO1 (0.47) SLC6A2SLC6A3LMNACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100371572-C Delivery device for removing interior engine deposits in a reciprocating internal combustion engine CHEVRON ORONITE CO (US) 2008-02-27 CN disclosed
CN-1305687-C Non-contact rewriting thermosensitive label and method using said label LINTEC CORP (JP) 2007-03-21 CN disclosed
CN-1639453-A Delivery apparatus for removing deposits in an engine in a reciprocating internal combustion engine CHEVRON ORONITE CO (US) 2005-07-13 CN disclosed
CN-1412006-A Non-contact rewriting thermosensitive label and method using said label LINTEC CORP (JP) 2003-04-23 CN disclosed
EP-0382523-A2 Heat-sensitive record material NEW OJI PAPER CO., LTD. (JP) 1990-08-16 EP disclosed
US-4310551-A Pharmacologically active substituted 1,2,4-triazines DIAMOND SHAMROCK CORPORATION (US) 1982-01-12 US disclosed
US-4157392-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS DIAMOND SHAMROCK CORPORATION (US) 1979-06-05 US disclosed
US-4115383-A Alkoxycarbonyl-ethylthio-azetidinones and process for their preparation ELI LILLY AND COMPANY (US) 1978-09-19 US disclosed
US-4048162-A Process for preparing 3-hydroxy cephalosporins ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4008230-A Process for preparing 3-hydroxy cephalosporins ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed