SCHEMBL5186704

SCHEMBL5186704

CCCCn1sc(-c2ccccc2)c(NCCCOCCOC)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2B P18089 1/20 0.36
OPRD1 P41143 1/20 0.36
SCN5A Q14524 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
SLC2A1 P11166 1/20 0.34
PDE4B Q07343 2/20 0.33
RECQL P46063 1/20 0.33
THRB P10828 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
SCHEMBL17844132 0.90 FAAH (0.39) FAAHMGLLCYP3A4MEN1KMT2A
SCHEMBL17844144 0.86 FAAH (0.40) FAAHMGLLCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL5184388 0.84 FAAH (0.47) FAAHMGLLCYP3A4SMN1; SMN2MEN1
SCHEMBL17844161 0.81 FAAH (0.44) FAAHMGLLSMN1; SMN2MEN1KMT2A
SCHEMBL17844198 0.80 MEN1 (0.48) FAAHMGLLSMN1; SMN2MEN1KMT2A
SCHEMBL17844070 0.78 FAAH (0.40) FAAHMGLLMEN1KMT2AALDH1A1
SCHEMBL17844174 0.77 FAAH (0.40) FAAHMGLLMEN1KMT2AALDH1A1
SCHEMBL17844060 0.76 KDM4E (0.48) SMN1; SMN2KMT2AALDH1A1TSHRGAA
SCHEMBL17844158 0.76 GAA (0.43) CYP3A4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL17844220 0.76 FAAH (0.40) FAAHMGLLSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed