SCHEMBL8586102

SCHEMBL8586102

CCCCCOCCOCCOCCOCCOC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
SPHK1 Q9NYA1 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL27905256 1.00 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL27892742 1.00 HTT (0.52) HTTMEN1THRBKMT2AMAPT
SCHEMBL29083539 0.98 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL28602530 0.98 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL28205180 0.98 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL30549095 0.98 HTT (0.56) HTTMEN1THRBKMT2AMAPT
SCHEMBL3203801 0.93 TSHR (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL4838438 0.93 TSHR (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL20201550 0.91 HTT (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL20206422 0.91 HTT (0.52) HTTMEN1THRBKMT2AMAPT

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-0886719-A1 A PROCESS AND A FORMULATION TO INHIBIT SCALE IN OIL FIELD PRODUCTION BP Chemicals Limited (GB) 1998-12-30 EP disclosed
WO-1998030783-A1 A PROCESS AND A FORMULATION TO INHIBIT SCALE IN OIL FIELD PRODUCTION BP CHEMICALS LIMITED (GB) 1998-07-16 WO disclosed