SCHEMBL6441968

SCHEMBL6441968

CCCCCCCCCCCCCCCCC[PH](=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
THRB P10828 1/20 0.44
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GPR84 Q9NQS5 7/20 0.40
PPARG P37231 6/20 0.40
PPARD Q03181 6/20 0.40
PPARA Q07869 6/20 0.40
HDAC11 Q96DB2 5/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
PTPN1 P18031 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40

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
SCHEMBL98631 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL4481764 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL6440921 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL6445538 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL2790269 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL600688 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL16243948 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL971679 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1
SCHEMBL686906 1.00
SCHEMBL11522389 1.00 TSHR (0.44) TSHRTHRBCES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6956072-B1 Thermoplastic resin composition and molded object thereof POLYPLASTICS CO., LTD. (JP) 2005-10-18 US disclosed