SCHEMBL254715

SCHEMBL254715

Nc1ccc(COc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.72
NR4A1 P22736 1/20 0.72
NR4A3 Q92570 1/20 0.72
RXRA P19793 5/20 0.71
RXRB P28702 5/20 0.71
RAB9A P51151 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
NPC1 O15118 1/20 0.71
POLB P06746 1/20 0.71
SRD5A2 P31213 1/20 0.66
PARP10 Q53GL7 2/20 0.64
MAOB P27338 2/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
MAOA P21397 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
PLA2G4B P0C869 2/20 0.62
PTPRC P08575 1/20 0.62
PTPN2 P17706 1/20 0.62
PTPN1 P18031 1/20 0.62

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
SCHEMBL254794 1.00 NR4A2 (0.72) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL8134318 0.91 NR4A2 (0.85) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL29185186 0.85 NR4A2 (0.60) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL6830467 0.84 NR4A2 (1.00) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL4059143 0.84 NR4A2 (1.00) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL228477 0.84 NR4A2 (1.00) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL1750167 0.84 NR4A2 (0.86) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL6654887 0.83 SRD5A2 (0.77) NR4A2NR4A1NR4A3RAB9ASMN1; SMN2
SCHEMBL31542030 0.83 MAOB (0.80) RAB9ASMN1; SMN2MAOBGAAMAPT
SCHEMBL5121663 0.83 MAOB (0.80) RAB9ASMN1; SMN2MAOBGAAMAPT

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-2012031298-A2 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2012-03-08 WO disclosed