SCHEMBL7534346

SCHEMBL7534346

CCCCCOCC(C)(C)COCCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.48
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
USP2 O75604 1/20 0.41
CES2 O00748 2/20 0.39
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
LPAR5 Q9H1C0 1/20 0.34
PLA2G2C Q5R387 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32

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
SCHEMBL30256962 0.95 CES1 (0.52) CES1HTTMEN1THRBKMT2A
SCHEMBL5486080 0.93 CES1 (0.55) CES1HTTMEN1THRBKMT2A
SCHEMBL5469348 0.93 CES1 (0.55) CES1HTTMEN1THRBKMT2A
SCHEMBL2770729 0.93 CES1 (0.55) CES1HTTMEN1THRBKMT2A
SCHEMBL5478904 0.93 CES1 (0.55) CES1HTTMEN1THRBKMT2A
SCHEMBL19845102 0.87 TSHR (0.46) CES1HTTMEN1THRBKMT2A
SCHEMBL28686741 0.87 TSHR (0.37) CES1TDP1TSHR
SCHEMBL19993748 0.83 CES1 (0.47) CES1HTTMEN1THRBKMT2A
SCHEMBL22393553 0.83 CES1 (0.47) CES1HTTMEN1THRBKMT2A
SCHEMBL21359661 0.82 CES1 (0.50) CES1HTTMEN1THRBKMT2A

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-1200507-A1 ZWITTERIONIC POLYETHERPOLYAMINES AND A PROCESS FOR THEIR PRODUCTION BASF AKTIENGESELLSCHAFT (DE) 2002-05-02 EP disclosed
WO-2001005872-A1 ZWITTERIONIC POLYETHERPOLYAMINES AND A PROCESS FOR THEIR PRODUCTION BASF AKTIENGESELLSCHAFT (DE) 2001-01-25 WO disclosed