SCHEMBL8154576

SCHEMBL8154576

CSc1ccc(OCc2ccccc2)c(C=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.60
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND1 P24385 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
PTGER1 P34995 2/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ERN1 O75460 3/20 0.45
LMNA P02545 3/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.42
LIPE Q05469 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
SCHEMBL8322535 0.89 GCK (0.51) GCKCCNB2CDK1CDK4CCNB1
SCHEMBL5099989 0.88 CCNB2 (0.51) GCKCCNB2CDK1CDK4CCNB1
SCHEMBL8167293 0.81 PTGER1 (0.55) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL3988300 0.79 CCNB2 (0.51) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL4030290 0.79 CCNB2 (0.54) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL3615463 0.79 MAOB (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL31312392 0.79 MAOA (0.58) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL2573994 0.78 TUBB1 (0.57) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL12952636 0.78 CCNB2 (0.56) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1119150 0.78 JAK2 (0.57) CCNB2CDK1CDK4CCNB1CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1085663-C Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2002-05-29 CN disclosed
CN-1286254-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2001-03-07 CN disclosed
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
CN-1154106-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 1997-07-09 CN 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-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 WO disclosed