SCHEMBL12374326

SCHEMBL12374326

CCCCOc1ccc(C2(c3ccc(OCCCC)cc3C)c3cc(C)ccc3-c3ccc(C)cc32)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.44
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
PTPN1 P18031 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PDIA6 Q15084 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PTPN11 Q06124 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 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
SCHEMBL14667897 0.85 PDK2 (0.47) PDK2MEN1NPC1ALDH1A1GAA
SCHEMBL12374325 0.83 ALDH1A1 (0.37) PDK2MEN1ALDH1A1GAAMAPT
SCHEMBL12374343 0.82 PDK2 (0.43) PDK2MEN1NPC1ALDH1A1GAA
SCHEMBL12620452 0.80 PDK2 (0.45) PDK2MEN1NPC1RAB9AKMT2A
SCHEMBL13589739 0.79 NR5A1 (0.46) PDK2NPC1RAB9APTPN11LTA4H
SCHEMBL12374331 0.79 PDK2 (0.40) PDK2MEN1NPC1ALDH1A1GAA
SCHEMBL6123912 0.79 NR5A1 (0.46) PDK2NPC1RAB9APTPN11LTA4H
SCHEMBL12018767 0.78 PDK2 (0.45) PDK2NPC1RAB9APTPN11LTA4H
SCHEMBL12619832 0.78 LTA4H (0.46) PDK2MEN1ALDH1A1MAPTKMT2A
SCHEMBL14667910 0.77 PDK2 (0.51) PDK2PTPN1PTPN11

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
US-20110187266-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-04 US disclosed