SCHEMBL9194841

SCHEMBL9194841

O=C(O)CCCCCCCc1nc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.47
TBXAS1 P24557 2/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
LTB4R Q15722 1/20 0.41
MAPT P10636 5/20 0.41
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
MAPK14 Q16539 3/20 0.41
TP53 P04637 3/20 0.41
GCGR P47871 2/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
NR4A2 P43354 1/20 0.40
MEN1 O00255 1/20 0.39
PLA2G1B P04054 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL9193870 0.89 RXRA (0.51) TGFBR1TBXAS1MAPTMAPK13MAPK12
SCHEMBL9200921 0.88 TGFBR1 (0.46) TGFBR1TBXAS1MAPTMAPK13MAPK12
SCHEMBL9201256 0.85 MAPT (0.49) TGFBR1LTB4RMAPTMAPK13MAPK12
SCHEMBL7267240 0.77 CHRM1 (0.55) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8119778 0.74 FAAH (0.52) MAPTMEN1KMT2ASMN1; SMN2
Sebacic Acid SCHEMBL6745956 0.73 LMNA (0.55) ESR1ESR2LTB4RMAPTMEN1
Azelaic Acid SCHEMBL9777688 0.73 LMNA (0.55) ESR1ESR2LTB4RMAPTMEN1
SCHEMBL6745959 0.73 LMNA (0.55) ESR1ESR2LTB4RMAPTMEN1
SCHEMBL9194754 0.72 FAAH (0.43) TGFBR1TBXAS1MAPTMAPK13MAPK12
SCHEMBL9201163 0.72 NOX1 (0.44) MAPTTP53MEN1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626969-A4 CoA-IT AND PAF INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-04-19 EP disclosed
EP-0626969-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-07 EP disclosed
WO-1993016674-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 WO disclosed