SCHEMBL8323954

SCHEMBL8323954

COC(=O)c1cc(Br)c(/C=C/c2ccccc2OCc2ccccc2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.54
PTGER4 P35408 1/20 0.54
PTGER3 P43115 1/20 0.54
PTGER2 P43116 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
BLM P54132 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 4/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
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

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
SCHEMBL8323956 1.00 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8327237 0.89 MEN1 (0.55) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8680186 0.89 MEN1 (0.55) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8327239 0.89 MEN1 (0.55) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8323795 0.81 MEN1 (0.57) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8323794 0.81 MEN1 (0.57) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL7774977 0.81 KMT2A (0.62) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL7774973 0.81 KMT2A (0.62) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8321308 0.81 LMNA (0.60) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8675099 0.81 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2MEN1

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
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed