SCHEMBL8811023

SCHEMBL8811023

CCCCOCCCCCOCO

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
HTT P42858 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
THRB P10828 1/20 0.62
MAPT P10636 1/20 0.62
USP2 O75604 1/20 0.48
CES2 O00748 2/20 0.46
CYP3A4 P08684 1/20 0.43
GBA2 Q9HCG7 2/20 0.42
GBA1 P04062 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL8811438 1.00 TSHR (0.64) TSHRHTTMEN1KMT2ATHRB
SCHEMBL8675577 0.97 TSHR (0.67) TSHRHTTMEN1KMT2ATHRB
SCHEMBL4396246 0.97 TSHR (0.67) TSHRHTTMEN1KMT2ATHRB
SCHEMBL8813133 0.95 HTT (0.70) TSHRHTTMEN1KMT2ATHRB
SCHEMBL8814299 0.95 HTT (0.70) TSHRHTTMEN1KMT2ATHRB
SCHEMBL23038721 0.92 HTT (0.65) TSHRHTTMEN1KMT2ATHRB
SCHEMBL7635768 0.92 HTT (0.65) TSHRHTTMEN1KMT2ATHRB
SCHEMBL7781141 0.92 HTT (0.65) TSHRHTTMEN1KMT2ATHRB
SCHEMBL5698095 0.92 TSHR (0.67) TSHRHTTMEN1KMT2ATHRB
SCHEMBL7851734 0.92 HTT (0.65) TSHRHTTMEN1KMT2ATHRB

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