SCHEMBL6231507

SCHEMBL6231507

CCCCc1c(O)c(O)cc(OCC)c1OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.57
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ESR1 P03372 2/20 0.39
TSHR P16473 1/20 0.39
TUBB1 Q9H4B7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 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
SCHEMBL6234043 0.90 ALOX5 (0.49) ALOX5HTTESR1TSHRTUBB1
SCHEMBL6233136 0.87 ALOX5 (0.57) ALOX5HTTNPC1HPGDMAPK1
SCHEMBL6233674 0.86 ALOX5 (0.56) ALOX5HTTNPC1HPGDMAPK1
SCHEMBL6233429 0.81 ALOX5 (0.54) ALOX5ESR1LMNA
SCHEMBL6231511 0.80 ALOX5 (0.41) ALOX5HTTNPC1HPGDMAPK1
SCHEMBL6236701 0.79 ALOX5 (0.88) ALOX5HTTNPC1HPGDMAPK1
SCHEMBL5587002 0.79 ALOX5 (0.41) ALOX5HTTNPC1HPGDMAPK1
SCHEMBL5590629 0.77 TSHR (0.47) HTTESR1TSHRTUBB1ALDH1A1
SCHEMBL6230569 0.77 ESR1 (0.44) ALOX5HTTNPC1HPGDMAPK1
SCHEMBL6232977 0.75 ALOX5 (0.48) ALOX5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed