SCHEMBL8811432

SCHEMBL8811432

CCCCOCCCCCCOC[O]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
CYP3A4 P08684 2/20 0.48
CES2 O00748 2/20 0.46
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 2/20 0.38
LPAR2 Q9HBW0 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL8811016 1.00 TSHR (0.50) TSHRMEN1THRBHTTKMT2A
SCHEMBL4396242 0.97 TSHR (0.52) TSHRMEN1THRBHTTKMT2A
SCHEMBL8813129 0.95 MEN1 (0.56) TSHRMEN1THRBHTTKMT2A
SCHEMBL8814294 0.95 MEN1 (0.56) TSHRMEN1THRBHTTKMT2A
SCHEMBL4390963 0.92 TSHR (0.52) TSHRMEN1THRBHTTKMT2A
SCHEMBL379520 0.92
SCHEMBL7781137 0.92 CES2 (0.54) TSHRMEN1THRBHTTKMT2A
SCHEMBL9488044 0.92 TSHR (0.56) TSHRMEN1THRBHTTKMT2A
SCHEMBL7851733 0.92 CES2 (0.54) TSHRMEN1THRBHTTKMT2A
SCHEMBL4392248 0.92 TSHR (0.56) TSHRMEN1THRBHTTKMT2A

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
US-5691319-A ANTICARCINOGENIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-11-25 US disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed