SCHEMBL8154573

SCHEMBL8154573

Cc1ccc(OCc2ccccc2)c(C=S)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.52
PTGER4 P35408 3/20 0.52
PTGER3 P43115 3/20 0.52
PTGER2 P43116 3/20 0.52
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOB P27338 3/20 0.46
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
MRGPRX4 Q96LA9 3/20 0.45
LMNA P02545 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44

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
SCHEMBL8322912 0.88 MAPT (0.49) PTGER1PTGER4PTGER3PTGER2MAPT
Ethylene SCHEMBL8163780 0.86 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL8167293 0.84 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL28324606 0.82 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL686650 0.80 MAPT (0.58) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL2880445 0.78 MRGPRX4 (0.66) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL8150510 0.76 MAPT (0.53) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL827943 0.76 SMPD1 (0.57) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL20958094 0.76 MAPT (0.53) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL130824 0.76 MRGPRX4 (0.68) PTGER1PTGER4PTGER3PTGER2MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773930-B1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LTD (GB) 2000-10-11 EP disclosed
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5843942-A Aromatic amino ethers as pain relieving agents ZENECA LIMITED (GB) 1998-12-01 US disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0773930-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1997-05-21 EP disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 WO disclosed