SCHEMBL8675797

SCHEMBL8675797

O=C(O)c1cccc(C=Cc2ccccc2OCc2ccccc2)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.63
PTGER4 P35408 2/20 0.63
PTGER3 P43115 2/20 0.63
PTGER2 P43116 2/20 0.63
CCNB2 O95067 1/20 0.57
CDK1 P06493 1/20 0.57
CDK4 P11802 1/20 0.57
CCNB1 P14635 1/20 0.57
CCND1 P24385 1/20 0.57
CCNB3 Q8WWL7 1/20 0.57
MCL1 Q07820 1/20 0.48
GAA P10253 1/20 0.47
SGMS2 Q8NHU3 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
FOLH1 Q04609 1/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PSMD14 O00487 1/20 0.45

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
SCHEMBL8674898 0.87 LMNA (0.52) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8675280 0.86 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL7050350 0.84 PTGER1 (0.61) PTGER1MCL1GAASGMS2KMT2A
SCHEMBL8677553 0.83 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8674848 0.82 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8674858 0.82 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8675101 0.82 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8674679 0.82 PTGER4 (0.57) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8674885 0.81 PTGER1 (0.66) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8323838 0.80 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2CCNB2

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

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