SCHEMBL11566192

SCHEMBL11566192

CCCCCCN(CCCCCC)C(=O)Oc1cc(C)cc(OCC(C)(OC)OCC)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ACAT1 P24752 1/20 0.32
SOAT1 P35610 1/20 0.32
CNR1 P21554 4/20 0.32
CNR2 P34972 4/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 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
SCHEMBL11565494 0.72 PLA2G2A (0.34) PLA2G2ATHRATHRBBLMCNR1
SCHEMBL11566247 0.71 CYP1A2 (0.33) PLA2G2ATHRATHRBBLMKDM4E
SCHEMBL14891873 0.70 LMNA (0.50) TP53
SCHEMBL6754891 0.65 MEN1 (0.51) MAPTCNR2
P-Xylene SCHEMBL8433020 0.63 NPC1 (0.46) TP53CYP3A4CNR2
SCHEMBL9363680 0.63 PLA2G2A (0.36) PLA2G2ATHRATHRB
SCHEMBL25276950 0.62 CA12 (0.45) MAPT
SCHEMBL25271947 0.62 CA12 (0.45) MAPT
SCHEMBL9500521 0.62 CA12 (0.45) MAPT
SCHEMBL25276942 0.62 CA12 (0.45) MAPT

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-4163112-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1979-07-31 US disclosed