SCHEMBL8323803

SCHEMBL8323803

COC(=O)c1ccc(CCCc2cc(NS(=O)(=O)c3ccccc3)ccc2OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.51
PTGER4 P35408 2/20 0.51
PTGER3 P43115 2/20 0.51
PTGER2 P43116 2/20 0.51
HTR6 P50406 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MTNR1B P49286 2/20 0.48
MTNR1A P48039 3/20 0.47
AR P10275 1/20 0.47
NOD2 Q9HC29 2/20 0.46
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 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
SCHEMBL8323878 0.84 PKM (0.51) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8320635 0.84 MEN1 (0.56) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8324192 0.83 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2HTR6
SCHEMBL8325792 0.83 PTGER1 (0.60) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8323265 0.82 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8321834 0.82 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8319855 0.82 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8325723 0.82 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8326018 0.81 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8324167 0.81 PTGER1 (0.51) 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 4 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
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed