SCHEMBL28112117

SCHEMBL28112117

CCCCCCOc1c(CC)ccc(OC)c1-c1ccccc1.c1cnnnc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
CNR2 P34972 4/20 0.37
SOAT1 P35610 1/20 0.36
PTPN11 Q06124 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
C5 P01031 1/20 0.35
PTPN1 P18031 1/20 0.35
SMPD1 P17405 3/20 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
SCHEMBL3405276 0.81 CNR2 (0.43) CNR2
Guaiacol SCHEMBL3387344 0.76 ALOX5 (0.42) CNR2MEN1MAPTKMT2A
Guaiacol SCHEMBL480341 0.76 ALOX5 (0.42) CNR2MEN1MAPTKMT2A
SCHEMBL17580697 0.76 PDE4B (0.44) CNR2SOAT1MAPTPTPN1
SCHEMBL29271942 0.75 LTA4H (0.44) ALDH1A1
SCHEMBL28236870 0.75 THRA (0.44) THRATHRBSOAT1PTPN11MEN1
Anisole SCHEMBL27966148 0.74 MAPT (0.39) MAPT
Guaiacol SCHEMBL268884 0.74 CNR1 (0.40) CNR2MEN1MAPTKMT2A
Anisole SCHEMBL29041606 0.73 TRPV1 (0.36) CNR2ALDH1A1MAPT
SCHEMBL22412940 0.72 ALOX5 (0.47)

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
CN-104756202-B System and method for applying adhesive coated cable to a surface ADC电信股份有限公司 2016-12-14 CN disclosed