SCHEMBL8499771

SCHEMBL8499771

CC(O)C(=O)Oc1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
KMT2A Q03164 2/20 0.51
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
NR4A2 P43354 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMO O15229 1/20 0.46
NR1H4 Q96RI1 2/20 0.46
LMNA P02545 1/20 0.45
ELANE P08246 1/20 0.45
FOLH1 Q04609 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL809379 0.88 ELANE (0.58) AKR1C3KMT2ARXRARXRBNR4A2
SCHEMBL14998124 0.83 KMT2A (0.55) AKR1C3KMT2ARXRARXRBNR4A2
SCHEMBL30184304 0.82 RXRA (0.68) AKR1C3KMT2ARXRARXRBNR4A2
SCHEMBL592781 0.82 RXRA (0.68) AKR1C3KMT2ARXRARXRBNR4A2
SCHEMBL8517905 0.81 AKR1C3 (0.59) AKR1C3KMT2ARXRARXRBNR4A2
SCHEMBL3744640 0.80 ELANE (0.55) KMT2AGAAMEN1LMNAELANE
SCHEMBL3740302 0.80 ELANE (0.55) KMT2AGAAMEN1LMNAELANE
SCHEMBL197674 0.80 ELANE (0.55) KMT2AGAAMEN1LMNAELANE
SCHEMBL10522418 0.79 LMNA (0.58) KMT2AMEN1HTTLMNAELANE
SCHEMBL10787310 0.79 CYP3A4 (0.62) KMT2AMEN1LMNAPOLB

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-0955032-A1 COSMETIC Technoble Co., Ltd. (JP) 1999-11-10 EP claimed