SCHEMBL17844144

SCHEMBL17844144

CCCCCCNc1c(-c2ccccc2)sn(CCOC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
SLC2A1 P11166 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
SOAT1 P35610 4/20 0.36
SOAT2 O75908 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA2B P29275 1/20 0.35
NAAA Q02083 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5184388 0.90 FAAH (0.47) FAAHMGLLSLC2A1ALDH1A1NPC1
SCHEMBL17844132 0.89 FAAH (0.39) FAAHMGLLALDH1A1RAB9AADORA2B
SCHEMBL5186704 0.86 FAAH (0.38) FAAHMGLLSLC2A1ALDH1A1NPC1
SCHEMBL17844161 0.78 FAAH (0.44) FAAHMGLLALDH1A1NPC1MAPT
SCHEMBL17844198 0.78 MEN1 (0.48) FAAHMGLLALDH1A1MAPTHTT
SCHEMBL17844070 0.76 FAAH (0.40) FAAHMGLLALDH1A1NPC1RAB9A
SCHEMBL5186011 0.75 ALDH1A1 (0.48) FAAHMGLLALDH1A1MAPTHTT
SCHEMBL17844060 0.74 KDM4E (0.48) SLC2A1ALDH1A1NPC1MAPTRAB9A
SCHEMBL17844174 0.74 FAAH (0.40) FAAHMGLLALDH1A1NPC1MAPT
SCHEMBL17844158 0.74 GAA (0.43) ALDH1A1NPC1MAPTRAB9AMAPK1

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
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed