SCHEMBL8675280

SCHEMBL8675280

O=C(O)c1cccc(O)c1C=Cc1ccccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.59
PTGER4 P35408 2/20 0.59
PTGER3 P43115 2/20 0.59
PTGER2 P43116 2/20 0.59
CCNB2 O95067 1/20 0.53
CDK1 P06493 1/20 0.53
CDK4 P11802 1/20 0.53
CCNB1 P14635 1/20 0.53
CCND1 P24385 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
MCL1 Q07820 1/20 0.48
GAA P10253 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
SGMS2 Q8NHU3 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8674858 0.86 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8674679 0.86 PTGER4 (0.57) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8674848 0.86 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8675101 0.86 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8675797 0.86 PTGER1 (0.63) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8677553 0.80 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8323838 0.79 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8323833 0.79 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8674885 0.78 PTGER1 (0.66) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8675099 0.77 PTGER1 (0.55) 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