SCHEMBL3382014

SCHEMBL3382014

CCCCCCOc1c(CC)cccc1C(=O)Oc1ccc(CC)c(CC)c1OCCCCCC.COc1ncnc(-c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.36
CNR2 P34972 4/20 0.35
CNR1 P21554 2/20 0.35
MAPK8 P45983 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TSHR P16473 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
SCHEMBL17294439 0.73 THRA (0.35) THRATHRB
SCHEMBL6399457 0.73 SOAT1 (0.37) PTPN11MAPK8THRATHRBMAPT
SCHEMBL15203963 0.72 KDM4E (0.52) PTPN11CYP2C9LMNAMEN1NR1I2
SCHEMBL30122764 0.71 CNR2 (0.35) PTPN11CNR2THRATHRBLMNA
SCHEMBL627672 0.69 CYP1A2 (0.39) CNR2CNR1CYP2C9LMNAMEN1
SCHEMBL9993602 0.69 SOAT1 (0.48) MAPK8THRATHRBTSHR
SCHEMBL8520508 0.69 SOAT1 (0.48) MAPK8THRATHRBTSHR
Diethylene Glycol Monoethyl Ether SCHEMBL6065116 0.67 THRB (0.34) PTPN11THRATHRBLMNAMEN1
SCHEMBL3382019 0.67 LTB4R (0.37) PTPN11MAPK8
SCHEMBL2709504 0.67 CYP1A2 (0.41) CYP3A4MAPTTSHRALDH1A1PDE4B

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
EP-1380288-B1 Cosmetic and dermatological photoprotective compositions containing hydrophobic acrylamidomethylpropanesulphonic acid (AMPS) polymer CLARIANT INTERNAT AG (CH) 2010-11-17 EP disclosed