SCHEMBL8324192

SCHEMBL8324192

O=C(O)c1ccc(CCCc2ccc(NS(=O)(=O)c3ccccc3)cc2OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.62
PTGER4 P35408 1/20 0.62
PTGER3 P43115 1/20 0.62
PTGER2 P43116 1/20 0.62
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC1 Q13547 3/20 0.50
HDAC8 Q9BY41 2/20 0.50
AR P10275 4/20 0.49
GPR55 Q9Y2T6 1/20 0.48
FABP4 P15090 1/20 0.46
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HTR6 P50406 2/20 0.44
HDAC4 P56524 1/20 0.44
PKM P14618 1/20 0.44
LIMK1 P53667 1/20 0.43
LIMK2 P53671 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
SCHEMBL8323878 0.89 PKM (0.51) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8676578 0.87 MEN1 (0.52) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8323803 0.83 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8459732 0.82 PTGER1 (0.66) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8320717 0.81 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8320298 0.80 MEN1 (0.51) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8319623 0.79 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2
SCHEMBL8319420 0.78 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2
SCHEMBL8322261 0.77 PTGER1 (0.70) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL3563796 0.76 HDAC1 (0.66) MEN1KMT2APOLBHDAC1HDAC8

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 3 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
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed