SCHEMBL8409256

SCHEMBL8409256

CCc1ccccc1-c1cc(CC#N)ccc1OCc1ccc(C(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
MAPT P10636 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 4/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.43
CTSK P43235 1/20 0.43
NPC1 O15118 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL8409632 0.88 MRGPRX4 (0.53) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8406707 0.88 SMN1; SMN2 (0.52) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8406895 0.87 MAPT (0.51) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8406676 0.85 MAPT (0.59) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8409540 0.85 CCR5 (0.53) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8409736 0.84 MAPT (0.55) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8406675 0.83 SMN1; SMN2 (0.54) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8406751 0.83 MAPT (0.49) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8408263 0.82 MAPT (0.47) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8409584 0.82 MAPT (0.48) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9

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 3 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
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed