SCHEMBL8323711

SCHEMBL8323711

C=CCOc1ccc(OCc2ccccc2)c(CCCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.65
PTGER4 P35408 2/20 0.65
PTGER3 P43115 2/20 0.65
PTGER2 P43116 2/20 0.65
MTNR1B P49286 2/20 0.49
MTNR1A P48039 3/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
BCHE P06276 2/20 0.47
SRD5A2 P31213 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXRA P19793 3/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 1/20 0.44
HPGD P15428 1/20 0.44
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL8322781 0.91 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8674865 0.86 MTNR1A (0.49) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8325238 0.86 PTGER1 (0.69) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8322025 0.85 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL9058067 0.83 PTGER1 (0.70) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8674867 0.82 MTNR1B (0.51) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL9058140 0.82 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8321346 0.82 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL9064469 0.81 PTGER1 (0.65) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL9059843 0.80 PTGER1 (0.64) PTGER1PTGER4PTGER3PTGER2MTNR1B

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