SCHEMBL2868546

SCHEMBL2868546

COCCOCOc1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
NR4A2 P43354 7/20 0.54
PLA2G4B P0C869 1/20 0.53
NR1H4 Q96RI1 6/20 0.52
MRGPRX4 Q96LA9 2/20 0.51
RAB9A P51151 2/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
AKR1C3 P42330 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL6929972 0.90 KMT2A (0.68) KMT2ANR4A2PLA2G4BNR1H4MRGPRX4
SCHEMBL1665041 0.88 KMT2A (0.73) KMT2ANR4A2PLA2G4BNR1H4MRGPRX4
SCHEMBL30517635 0.88 KMT2A (0.73) KMT2ANR4A2PLA2G4BNR1H4MRGPRX4
SCHEMBL3148484 0.86 KMT2A (0.66) KMT2ANR4A2PLA2G4BNR1H4MRGPRX4
SCHEMBL1029366 0.84 KDM4E (0.58) PLA2G4BTP53PKM
SCHEMBL11326622 0.84 KMT2A (0.41) KMT2A
SCHEMBL2877777 0.83 TDP1 (0.55) KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL2934559 0.83 KMT2A (0.71) KMT2ANR4A2PLA2G4BNR1H4MRGPRX4
SCHEMBL1503531 0.83 PKM (0.56) PLA2G4BRAB9ATP53PKMSMN1; SMN2
SCHEMBL19665046 0.81 KMT2A (0.73) KMT2ANR4A2PLA2G4BNR1H4RAB9A

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-2010043866-A2 HISTONE LYSINE DEMETHYLASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2010-04-22 WO disclosed