SCHEMBL8320693

SCHEMBL8320693

CSc1ccc(OCc2ccccc2)c(CCCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.69
PTGER4 P35408 2/20 0.69
PTGER3 P43115 2/20 0.69
PTGER2 P43116 2/20 0.69
GCK P35557 2/20 0.55
RXRA P19793 5/20 0.49
RXRB P28702 4/20 0.49
RXRG P48443 3/20 0.49
MTNR1B P49286 2/20 0.47
HPGD P15428 1/20 0.46
MTNR1A P48039 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
NR4A1 P22736 1/20 0.45
NR4A2 P43354 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
SCHEMBL8409245 0.93 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2GCK
SCHEMBL8321962 0.90 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2GCK
SCHEMBL8324322 0.86 MTNR1B (0.57) PTGER1PTGER4PTGER3PTGER2GCK
SCHEMBL8325468 0.86 MTNR1B (0.57) PTGER1PTGER4PTGER3PTGER2GCK
SCHEMBL8676381 0.85 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2GCK
SCHEMBL8318002 0.85 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8321346 0.85 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL9057863 0.84 PTGER1 (0.72) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8405916 0.83 SMN1; SMN2 (0.53) PTGER1PTGER4PTGER3PTGER2GCK
SCHEMBL8321828 0.83 PTGER1 (0.70) PTGER1PTGER4PTGER3PTGER2RXRA

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 6 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 claimed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP claimed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO claimed
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