SCHEMBL3466992

SCHEMBL3466992

C=C(C)C(=O)NCC(CCCCCC)CCCCCCCC.C=CC(=O)NCC(CCCCCC)CCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.51
ZDHHC2 Q9UIJ5 2/20 0.51
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 2/20 0.36
TSHR P16473 4/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
FAAH O00519 1/20 0.36
TGM2 P21980 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
PLA2G2C Q5R387 1/20 0.33

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
SCHEMBL442618 0.91 LMNA (0.42) ZDHHC20ZDHHC2THRATHRBLMNA
SCHEMBL440561 0.91 LMNA (0.42) ZDHHC20ZDHHC2THRATHRBLMNA
SCHEMBL443990 0.91 LMNA (0.42) ZDHHC20ZDHHC2THRATHRBLMNA
SCHEMBL6117766 0.91 LMNA (0.42) ZDHHC20ZDHHC2THRATHRBLMNA
SCHEMBL440272 0.90 LMNA (0.41) ZDHHC20ZDHHC2THRATHRBLMNA
SCHEMBL6118081 0.89 ZDHHC20 (0.62) ZDHHC20ZDHHC2THRATHRBLMNA
SCHEMBL442232 0.86 LMNA (0.37) ZDHHC20ZDHHC2THRATHRBLMNA
SCHEMBL2333570 0.85 ZDHHC20 (0.56) ZDHHC20ZDHHC2THRATHRBLMNA
Bromide SCHEMBL28552418 0.81 ZDHHC20 (0.53) ZDHHC20ZDHHC2THRATHRBLMNA
SCHEMBL10591456 0.80 ZDHHC20 (0.53) ZDHHC20ZDHHC2THRATHRBLMNA

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-2010069514-A1 RELATIVE PERMEABILITY MODIFIERS BASED ON HYDROPHOBICALLY MODIFIED CATIONIC COPOLYMERS ENI S.P.A. (IT) 2010-06-24 WO disclosed