SCHEMBL8167264

SCHEMBL8167264

COC(C)(C)CCCC(C)CCCN

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.31
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL11547425 0.82 ALDH1A1 (0.42) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL10834300 0.82 LMNA (0.52) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL2757911 0.82 CYP3A4 (0.42) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL3274456 0.82 ALDH1A1 (0.42) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL15289609 0.80
SCHEMBL11548108 0.80 CYP3A4 (0.41) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL11197857 0.80 CYP3A4 (0.41) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL31492363 0.80 CYP3A4 (0.41) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL5322857 0.79 ALDH1A1 (0.43) CYP3A4ALDH1A1TDP1LMNAMEN1
SCHEMBL19812427 0.79 ALDH1A1 (0.43) CYP3A4ALDH1A1TDP1LMNAMEN1

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-2008106129-A2 POLYMERIC MICELLES FOR COMBINATION DRUG DELIVERY WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-09-04 WO disclosed