SCHEMBL8408317

SCHEMBL8408317

CCc1ccccc1-c1cccc(C(C)O)c1OCc1ccc(C(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 2/20 0.44
PKM P14618 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8796658 0.89 RXRA (0.47) MAPTKMT2AMEN1HPGDALDH1A1
SCHEMBL8408321 0.84 LMNA (0.54) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL8406035 0.84 MAPT (0.57) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL8406704 0.83 RAB9A (0.47) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL8408314 0.83 HPGD (0.50) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL8406387 0.82 MAPT (0.46) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL8406806 0.82 MRGPRX4 (0.47) MAPTSMN1; SMN2RAB9ALMNAHPGD
SCHEMBL8409359 0.81 MAPT (0.46) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL8409500 0.80 MAPT (0.45) MAPTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL8411464 0.80 KMT2A (0.49) MAPTSMN1; SMN2RAB9AKMT2AMEN1

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