SCHEMBL8408263

SCHEMBL8408263

CCc1ccccc1-c1cc(CSc2ccccc2)ccc1OCc1ccc(C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 6/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.41
CTSK P43235 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
NPC1 O15118 3/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 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
SCHEMBL8406707 0.85 SMN1; SMN2 (0.52) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL8406675 0.85 SMN1; SMN2 (0.54) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL8406895 0.84 MAPT (0.51) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL9276271 0.83 RXRA (0.46) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL8406676 0.83 MAPT (0.59) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL8409256 0.82 SMN1; SMN2 (0.49) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL8409540 0.82 CCR5 (0.53) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL8409584 0.82 MAPT (0.48) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL8408260 0.82 HPGD (0.46) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL8409736 0.81 MAPT (0.55) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9

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