SCHEMBL8320332

SCHEMBL8320332

COC(=O)c1cnc(C=Cc2ccccc2OCc2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.54
PTGER2 P43116 2/20 0.54
PTGER1 P34995 1/20 0.54
PTGER3 P43115 1/20 0.54
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
GCK P35557 1/20 0.48
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
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 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
SCHEMBL8320330 1.00 PTGER4 (0.54) PTGER4PTGER2PTGER1PTGER3CCNB2
SCHEMBL8676532 0.88 PTGER1 (0.59) PTGER4PTGER2PTGER1PTGER3CCNB2
SCHEMBL8676537 0.88 PTGER1 (0.59) PTGER4PTGER2PTGER1PTGER3CCNB2
SCHEMBL8323106 0.87 LMNA (0.54) PTGER1GCKMEN1KMT2APOLB
SCHEMBL8323098 0.87 LMNA (0.54) PTGER1GCKMEN1KMT2APOLB
SCHEMBL8326477 0.86 GCK (0.69) PTGER4PTGER2PTGER1PTGER3GCK
SCHEMBL8323446 0.85 PTGER1 (0.55) PTGER4PTGER2PTGER1PTGER3CCNB2
SCHEMBL8323448 0.85 PTGER1 (0.55) PTGER4PTGER2PTGER1PTGER3CCNB2
SCHEMBL8323003 0.85 GCK (0.60) PTGER4PTGER2PTGER1PTGER3CCNB2
SCHEMBL8323006 0.85 GCK (0.60) PTGER4PTGER2PTGER1PTGER3CCNB2

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 2 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
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed