SCHEMBL8406751

SCHEMBL8406751

CCc1ccccc1-c1cc(C=O)ccc1OCc1ccc(C(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
RAB9A P51151 6/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 4/20 0.45
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
ENPP2 Q13822 1/20 0.44
CTSK P43235 1/20 0.43
TACR2 P21452 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8406707 0.86 SMN1; SMN2 (0.52) MAPTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8406676 0.85 MAPT (0.59) MAPTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8406895 0.85 MAPT (0.51) MAPTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8409540 0.85 CCR5 (0.53) MAPTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8409736 0.84 MAPT (0.55) MAPTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8406675 0.83 SMN1; SMN2 (0.54) MAPTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8409256 0.83 SMN1; SMN2 (0.49) MAPTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8409632 0.82 MRGPRX4 (0.53) MAPTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8409645 0.82 MAPT (0.48) MAPTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8409454 0.81 MAPT (0.47) MAPTSMN1; SMN2CYP1A2CYP2C9CYP2C19

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