SCHEMBL8323446

SCHEMBL8323446

COC(=O)c1ccc(C=Cc2ccccc2OCc2ccccc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.55
PTGER4 P35408 1/20 0.55
PTGER3 P43115 1/20 0.55
PTGER2 P43116 1/20 0.55
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CCNB1 P14635 1/20 0.50
CCND1 P24385 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 4/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 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
SCHEMBL8323448 1.00 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8320332 0.85 PTGER4 (0.54) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8320330 0.85 PTGER4 (0.54) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL7774973 0.84 KMT2A (0.62) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL7774977 0.84 KMT2A (0.62) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8319700 0.80 PTGER4 (0.53) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8319694 0.80 PTGER4 (0.53) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8322341 0.80 PTGER4 (0.53) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8327004 0.80 PTGER4 (0.53) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL8322642 0.80 PTGER4 (0.53) PTGER1PTGER4PTGER3PTGER2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
EP-0925298-A1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1999-06-30 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
WO-1998008846-A1 SUBSTITUTED 6,6-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1998-03-05 WO disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed