SCHEMBL5230544

SCHEMBL5230544

CCc1cc(OC)ccc1-c1nc2cc(OC)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 1/20 0.52
UTRN P46939 3/20 0.49
TP53 P04637 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTPN2 P17706 2/20 0.46
PTPN1 P18031 2/20 0.46
PTPN5 P54829 2/20 0.46

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
SCHEMBL4544502 0.86 MAPT (0.47) MAPTALDH1A1NPC1RAB9AHPGD
SCHEMBL4473598 0.85 ESR1 (0.45) MAPTALDH1A1NPC1RAB9AHPGD
SCHEMBL4036194 0.77 MAPT (0.57) MAPTALDH1A1NPC1RAB9AHPGD
SCHEMBL30831338 0.77 MAPT (0.52) MAPTALDH1A1NPC1RAB9AHPGD
SCHEMBL11934536 0.76 GAA (0.52) MAPTALDH1A1NPC1RAB9AHPGD
SCHEMBL5226589 0.76 NPC1 (0.68) MAPTALDH1A1NPC1RAB9AHPGD
SCHEMBL8037820 0.75 MAPT (0.55) MAPTALDH1A1NPC1RAB9AHPGD
SCHEMBL13771677 0.75 MAPT (0.50) MAPTALDH1A1NPC1RAB9AHPGD
SCHEMBL12325303 0.75 MPO (0.49) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL31239361 0.74 F2RL3 (0.55) MAPTALDH1A1NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781628-A2 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS Wyeth a Corporation of the State of Delaware (US) 2007-05-09 EP disclosed
WO-2006026316-A2 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS WYETH (US) 2006-03-09 WO disclosed