SCHEMBL9057899

SCHEMBL9057899

O=C(O)c1ccc(CCCc2cccc([N+](=O)[O-])c2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.48
PTGER4 P35408 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
PLK1 P53350 1/20 0.47
PLK3 Q9H4B4 1/20 0.47
GPR35 Q9HC97 1/20 0.46
SIGMAR1 Q99720 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
RARB P10826 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
CASP6 P55212 1/20 0.41
BID P55957 1/20 0.41
BCL2L1 Q07817 1/20 0.41

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
SCHEMBL9057891 1.00 PTGER1 (0.48) PTGER1PTGER4PTGER3PTGER2PLK1
SCHEMBL8326737 0.85 CYP4A11 (0.50) PLK1PLK3GPR35KMT2AMEN1
SCHEMBL27864868 0.79 GPR35 (0.53) GPR35NPC1RAB9AKMT2AMEN1
SCHEMBL8405961 0.79 GPR35 (0.56) GPR35SIGMAR1NPC1RAB9AKMT2A
SCHEMBL2016391 0.76 GPR35 (0.56) GPR35ALDH1A1BIDBCL2L1MCL1
SCHEMBL3555674 0.76 SLC16A3 (0.60) PLK1PLK3NPC1RAB9AKMT2A
SCHEMBL27648916 0.75 GPR35 (0.55) GPR35SIGMAR1KMT2AMEN1POLB
SCHEMBL8319817 0.74 PTGER1 (0.61) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8402772 0.73 GPR35 (0.53) PLK1PLK3GPR35KDM4EMAPT
SCHEMBL133470 0.72 RARB (0.68) PTGER1PTGER4PTGER3PTGER2KMT2A

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-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