SCHEMBL6170875

SCHEMBL6170875

Bn1ncc2ccc(NC(=O)c3ccccc3OC(=O)c3ccc(C(C)(C)C)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.46
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARG P37231 4/20 0.44
PPARA Q07869 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1F P30939 1/20 0.43
EPHX2 P34913 2/20 0.42
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.41
BRPF1 P55201 1/20 0.40
LMNA P02545 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
SCHEMBL6169267 0.86 TP53 (0.43) NR1H4TP53THRBSMN1; SMN2PPARG
SCHEMBL6170952 0.80 NPC1 (0.56) NR1H4SMN1; SMN2PPARGPPARAMAPT
SCHEMBL5228556 0.78 KMT2A (0.62) NR1H4TP53THRBSMN1; SMN2PPARG
SCHEMBL5227493 0.75 KMT2A (0.58) NR1H4TP53SMN1; SMN2PPARGPPARA
SCHEMBL6170871 0.75 NR1H4 (0.48) NR1H4TP53THRBSMN1; SMN2PPARG
SCHEMBL6169372 0.72 NR1H4 (0.56) NR1H4TP53THRBSMN1; SMN2PPARG
SCHEMBL7371977 0.71 NR1H4 (0.46) NR1H4TP53THRBSMN1; SMN2PPARG
SCHEMBL6168824 0.71 NR1H4 (0.48) NR1H4TP53THRBSMN1; SMN2PPARG
SCHEMBL8768802 0.70 NPSR1 (0.58) NR1H4KMT2AMAPTLMNA
SCHEMBL6809277 0.69 SLC6A3 (0.72) SMN1; SMN2KMT2AMAPTLMNA

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
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed