SCHEMBL7796836

SCHEMBL7796836

O=C(O)c1cccc(C2c3ccccc3-c3ccccc32)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
ALDH1A1 P00352 4/20 0.47
MYC P01106 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.45
HNF4A P41235 1/20 0.44
FOLH1 Q04609 1/20 0.44
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 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
SCHEMBL9161966 0.84 CA12 (0.57) CYP2C9ALDH1A1KDM4ECA12CA1
SCHEMBL28069841 0.81 HDAC3 (0.37) CYP2C9ALDH1A1MYCL3MBTL1LMNA
SCHEMBL5321232 0.78 ALDH1A1 (0.59) CYP2C9ALDH1A1MYCL3MBTL1LMNA
SCHEMBL5321419 0.78 ALDH1A1 (0.59) CYP2C9ALDH1A1MYCL3MBTL1LMNA
SCHEMBL6941870 0.78 ALDH1A1 (0.59) CYP2C9ALDH1A1MYCL3MBTL1LMNA
SCHEMBL63603 0.78 HSD17B10 (0.58) ALDH1A1MYCL3MBTL1LMNAMAPT
SCHEMBL27452985 0.77 CYP2C9 (0.47) CYP2C9ALDH1A1MYCL3MBTL1LMNA
SCHEMBL809021 0.77 FOLH1 (0.61) CYP2C9ALDH1A1MYCL3MBTL1LMNA
SCHEMBL5554145 0.76 HSD17B10 (0.56) ALDH1A1MYCL3MBTL1LMNAMAPT
Water SCHEMBL7131144 0.76 HSD17B10 (0.56) ALDH1A1MYCL3MBTL1LMNAMAPT

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-1117102-A2 Method of manufacturing material for forming insulating film JSR Corporation (JP) 2001-07-18 EP disclosed