SCHEMBL8308345

SCHEMBL8308345

Nc1ccc2oc(C(=O)c3ccc(Cl)cc3)c(CCC(=O)O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 5/20 0.49
HSD17B10 Q99714 3/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 6/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HTT P42858 2/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
TTR P02766 2/20 0.40
LMNA P02545 2/20 0.39
ADORA2A P29274 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 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
SCHEMBL8308344 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL8553140 0.86 MAPT (0.39) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL8307015 0.81 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4437800 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL8554644 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL8553130 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL8307013 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL16547892 0.73 MAPT (0.57) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL16541035 0.73 MAPT (0.48) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL8307605 0.73 MAPK1 (0.39) ALDH1A1KDM4EHPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685475-B1 Amino-benzofuryl-and thienyl-derivatives BAYER AG (DE) 1999-01-13 EP disclosed
EP-0685474-B1 Oxalylamino-benzofuran- and benzothienyl-derivatives BAYER AG (DE) 1998-09-16 EP disclosed
US-5622989-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
US-5565488-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-10-15 US disclosed
EP-0685475-A1 Amino-benzofuryl-and thienyl-derivatives BAYER AG (DE) 1995-12-06 EP disclosed
EP-0685474-A1 Oxalylamino-benzofuran- and benzothienyl-derivatives BAYER AG (DE) 1995-12-06 EP disclosed