SCHEMBL8409221

SCHEMBL8409221

CC(C)c1cccc(CCc2ccccc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.53
GABRB2 P47870 3/20 0.53
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
TSHR P16473 2/20 0.53
FAAH O00519 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
GABRB1 P18505 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2C P28335 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
HTR2B P41595 1/20 0.53
GABRA2 P47869 1/20 0.53

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
SCHEMBL31603746 1.00 GABRA1 (0.53) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL8406608 0.88 KMT2A (0.40) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL10871287 0.84 GABRA1 (0.55) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL1343616 0.83 HTR1A (0.44) GABRA1GABRB2TSHRKMT2AHTR1A
SCHEMBL29511190 0.83 HTR1A (0.44) GABRA1GABRB2TSHRKMT2AHTR1A
SCHEMBL9423904 0.81 HTR1A (0.48) GABRA1GABRB2HPGDHTTHTR1A
SCHEMBL7066182 0.80 GABRA1 (0.59) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL31028132 0.80 GABRA1 (0.59) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL4310555 0.79 GABRA1 (0.57) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL14310641 0.79 GABRA1 (0.57) GABRA1GABRB2GABRG2GABRB3TSHR

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 4 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
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 WO disclosed