SCHEMBL8728342

SCHEMBL8728342

CCCCCCCOc1ccc(C(=O)Cl)cc1.CCCCCCOc1ccc(C(=O)Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.73
TSHR P16473 1/20 0.73
PLA2G4B P0C869 6/20 0.71
RARB P10826 3/20 0.67
PLA2G4A P47712 1/20 0.63
GAA P10253 2/20 0.61
NR5A1 Q13285 1/20 0.61
THRA P10827 2/20 0.60
THRB P10828 2/20 0.60
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
RAB9A P51151 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL5053280 1.00 TP53 (0.73) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1019300 1.00 TP53 (0.73) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL5206359 1.00 TP53 (0.73) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL2387345 1.00 TP53 (0.73) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL2399489 1.00 TP53 (0.73) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1022325 1.00 TP53 (0.73) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9161795 1.00 TP53 (0.73) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL10045771 1.00 TP53 (0.73) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL4209056 1.00 TP53 (0.73) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL1023839 0.98 TP53 (0.70) TP53TSHRPLA2G4BRARBPLA2G4A

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
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed