Decane

Decane

SCHEMBL8529247

CCCCCCCCCC.O=C(c1c(Cl)cccc1Cl)[P](=O)C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
DRD3 P35462 1/20 0.43
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
HPGD P15428 2/20 0.41
BID P55957 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
BAK1 Q16611 1/20 0.40

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
SCHEMBL27928530 0.85 PLK1 (0.41) PLK1ALDH1A1MEN1MAPTHTT
SCHEMBL4331990 0.83 PLK1 (0.42) PLK1ALDH1A1MEN1MAPTHTT
SCHEMBL29282733 0.77 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AHPGD
Decane SCHEMBL8529243 0.76 PLK1 (0.44) PLK1ALDH1A1MEN1MAPTHTT
SCHEMBL7186691 0.75 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHPGD
Hexane SCHEMBL8530050 0.75 PPARA (0.56) PLK1MEN1MAPTKMT2ACNR2
SCHEMBL18320536 0.73 TSHR (0.61) ALDH1A1MAPTATM
SCHEMBL28305688 0.72 ALDH1A1 (0.62) PLK1ALDH1A1MEN1MAPTHTT
SCHEMBL2769886 0.72 PLK1 (0.44) PLK1ALDH1A1MEN1MAPTHTT
SCHEMBL9114584 0.72 CA1 (0.43) PLK1ALDH1A1MEN1MAPTHTT

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-5723512-A PHOTOINITIATORS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-03-03 US disclosed