SCHEMBL9050797

SCHEMBL9050797

CCCCCCCCCCCCCCSCCC(=O)Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
ALDH1A1 P00352 4/20 0.61
TP53 P04637 2/20 0.54
CES2 O00748 6/20 0.53
HSD17B10 Q99714 2/20 0.53
GMNN O75496 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
BLM P54132 1/20 0.53
CES1 P23141 7/20 0.47
FAAH O00519 4/20 0.47
PLA2G6 O60733 1/20 0.47
PLA2G4B P0C869 1/20 0.45
CA2 P00918 1/20 0.42
PPARG P37231 4/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
GPR84 Q9NQS5 3/20 0.41

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
SCHEMBL8624811 1.00 TSHR (0.61) TSHRALDH1A1TP53CES2HSD17B10
SCHEMBL9015601 1.00 TSHR (0.61) TSHRALDH1A1TP53CES2HSD17B10
SCHEMBL11337171 1.00 TSHR (0.61) TSHRALDH1A1TP53CES2HSD17B10
SCHEMBL9015611 1.00 TSHR (0.61) TSHRALDH1A1TP53CES2HSD17B10
SCHEMBL8464950 0.92 TSHR (0.75) TSHRALDH1A1TP53CES2HSD17B10
SCHEMBL7749088 0.92 TSHR (0.75) TSHRALDH1A1TP53CES2HSD17B10
SCHEMBL7743848 0.92 TSHR (0.75) TSHRALDH1A1TP53CES2HSD17B10
SCHEMBL8865660 0.81 HSD17B10 (0.67) TSHRALDH1A1TP53CES2HSD17B10
SCHEMBL22045705 0.81 CES2 (0.67) TSHRALDH1A1TP53CES2HSD17B10
SCHEMBL22046141 0.81 CES2 (0.67) TSHRALDH1A1TP53CES2HSD17B10

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-0559898-B1 ANILIDE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 1996-05-08 EP disclosed
US-5475130-A A thio, sulfonyl, sulfoxidyl or sulfonate acetamide compound as enzyme inhibitor of acyl-coenzyme A cholesterol acyltransferase TAISHO PHARMACEUTICAL CO., LTD. (JP) 1995-12-12 US disclosed
EP-0559898-A1 ANILIDE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-09-15 EP disclosed