SCHEMBL6170871

SCHEMBL6170871

CC(C)(C)c1ccc(C(=O)Oc2ccccc2C(=O)Nc2ccc3c(c2)BN=C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.46
KCNK9 Q9NPC2 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.40
KCNK3 O14649 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
SCHEMBL5228556 0.80 KMT2A (0.62) NR1H4SMN1; SMN2TP53THRBPPARG
SCHEMBL5227493 0.77 KMT2A (0.58) NR1H4SMN1; SMN2TP53PPARGPPARA
SCHEMBL6170952 0.76 NPC1 (0.56) NR1H4SMN1; SMN2PPARGPPARAMAPT
SCHEMBL6170875 0.75 NR1H4 (0.46) NR1H4SMN1; SMN2TP53THRBPPARG
SCHEMBL7371977 0.73 NR1H4 (0.46) NR1H4SMN1; SMN2TP53THRBPPARG
SCHEMBL8768802 0.72 NPSR1 (0.58) NR1H4KMT2AMAPTNPSR1LMNA
SCHEMBL6169267 0.72 TP53 (0.43) NR1H4SMN1; SMN2TP53THRBPPARG
SCHEMBL6809277 0.71 SLC6A3 (0.72) SMN1; SMN2KMT2AMAPTNPSR1LMNA
SCHEMBL7328743 0.69 MAPT (0.66) NR1H4SMN1; SMN2TP53PPARGPPARA
SCHEMBL5315452 0.68 RAB9A (0.70) NR1H4SMN1; SMN2TP53PPARGPPARA

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