SCHEMBL8409736

SCHEMBL8409736

CCOC(=O)c1ccc(OCc2ccc(C(=O)OC)cc2)c(-c2ccccc2CC)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PPIA P62937 2/20 0.45
CTSK P43235 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 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
SCHEMBL8797760 0.90 RXRA (0.54) MAPTCYP2C9
SCHEMBL8409645 0.87 MAPT (0.48) MAPTSMN1; SMN2RAB9ALMNAL3MBTL1
SCHEMBL8406707 0.87 SMN1; SMN2 (0.52) MAPTSMN1; SMN2RAB9ALMNAL3MBTL1
SCHEMBL8406676 0.86 MAPT (0.59) MAPTSMN1; SMN2RAB9ALMNAL3MBTL1
SCHEMBL8406895 0.86 MAPT (0.51) MAPTSMN1; SMN2RAB9ALMNAL3MBTL1
SCHEMBL8409540 0.86 CCR5 (0.53) MAPTSMN1; SMN2RAB9ALMNAL3MBTL1
SCHEMBL8406751 0.84 MAPT (0.49) MAPTSMN1; SMN2RAB9ALMNAL3MBTL1
SCHEMBL8409256 0.84 SMN1; SMN2 (0.49) MAPTSMN1; SMN2RAB9ALMNAL3MBTL1
SCHEMBL8406675 0.84 SMN1; SMN2 (0.54) MAPTSMN1; SMN2RAB9ALMNAL3MBTL1
SCHEMBL8409632 0.83 MRGPRX4 (0.53) MAPTSMN1; SMN2RAB9ALMNAL3MBTL1

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-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed