SCHEMBL4454453

SCHEMBL4454453

CCCCCCOCCC(O)CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.55
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
LPAR5 Q9H1C0 4/20 0.46
SPHK1 Q9NYA1 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLA2G2C Q5R387 2/20 0.42
TSHR P16473 1/20 0.41
LPAR6 P43657 3/20 0.39
LPAR1 Q92633 3/20 0.39
LPAR4 Q99677 3/20 0.39
LPAR2 Q9HBW0 3/20 0.39
LPAR3 Q9UBY5 3/20 0.39

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
SCHEMBL10970630 0.98 USP2 (0.52) USP2HTTMEN1THRBKMT2A
SCHEMBL4201207 0.91 TSHR (0.50) USP2HTTMEN1THRBKMT2A
Hexan-3-Ol SCHEMBL28353622 0.89 USP2 (0.52) USP2HTTMEN1THRBKMT2A
SCHEMBL10406329 0.86 USP2 (0.69) USP2HTTMEN1THRBKMT2A
SCHEMBL8585380 0.86 USP2 (0.69) USP2HTTMEN1THRBKMT2A
SCHEMBL325667 0.84 TSHR (0.36) USP2HTTTSHR
SCHEMBL3375169 0.83 USP2 (0.66) USP2HTTMEN1THRBKMT2A
SCHEMBL8114954 0.83 USP2 (0.59) USP2HTTMEN1THRBKMT2A
SCHEMBL11795656 0.83 USP2 (0.59) USP2HTTMEN1THRBKMT2A
SCHEMBL8114951 0.83 USP2 (0.59) USP2HTTMEN1THRBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091528-A2 METHODS OF INACTIVATING VIRUSES Lynch, Michael (US) 2009-08-26 EP disclosed
US-20090035339-A1 Methods of Inactivating Viruses THIRD STREAM BIOSCIENCE, INC. 2009-02-05 US disclosed
WO-2008045860-A2 METHODS OF INACTIVATING VIRUSES LYNCH MICHAEL (US) 2008-04-17 WO disclosed