SCHEMBL11060669

SCHEMBL11060669

COc1cc(N2CCOCC2)c(Cl)cc1C(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HIF1A Q16665 2/20 0.43
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
CHRM1 P11229 1/20 0.41
PTGS1 P23219 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL11170500 0.89 MAPK1 (0.47) MAPK1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL11167920 0.88 CHRM1 (0.40) MAPK1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL11065162 0.84 CHRM1 (0.44) MAPK1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL12316373 0.80 HTT (0.49) MAPK1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL11165251 0.79 MAPT (0.41) MAPK1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL11064644 0.77 MAPT (0.49) MAPK1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL11065996 0.77 MAPK1 (0.46) MAPK1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL12316372 0.76 GAA (0.52) MAPK1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL12316379 0.76 MAPT (0.47) MAPK1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL11165675 0.76 MAPT (0.43) MAPK1LMNAMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451462-A Method of treating inflammation and pain using heteramino benzofurans CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
US-4426380-A ANTIINFLAMMATORY, ANALGESIC, SUNSCREEN CIBA-GEIGY CORPORATION (US) 1984-01-17 US disclosed
EP-0082109-A2 Substituted 2-hydroxyphenylacetic acids and derivatives of them CIBA-GEIGY AG (CH) 1983-06-22 EP disclosed
EP-0078241-A2 Furanes CIBA-GEIGY AG (CH) 1983-05-04 EP disclosed