SCHEMBL11064644

SCHEMBL11064644

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 4/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HCRTR1 O43613 1/20 0.45
POLB P06746 2/20 0.44
PRKDC P78527 1/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL12316373 0.89 HTT (0.49) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL12316372 0.88 GAA (0.52) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL12316379 0.88 MAPT (0.47) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL10986476 0.86 S1PR1 (0.48) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL11065996 0.78 MAPK1 (0.46) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL19174694 0.77 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL11064928 0.77 MAPK1 (0.45) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL11060669 0.77 MAPK1 (0.45) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL11170500 0.76 MAPK1 (0.47) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL1789465 0.76 SMN1; SMN2 (0.48) MAPTSMN1; SMN2RAB9ANPC1NFKB1

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