SCHEMBL8326623

SCHEMBL8326623

O=C(O)c1ccc(CCCc2cccnc2OCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 2/20 0.69
▸ PTGER4 P35408 2/20 0.69
▸ PTGER3 P43115 2/20 0.69
▸ PTGER2 P43116 2/20 0.69
▸ NR4A1 P22736 1/20 0.50
▸ NR4A2 P43354 1/20 0.50
▸ NR4A3 Q92570 1/20 0.50
▸ SRD5A2 P31213 1/20 0.47
▸ PPIA P62937 1/20 0.46
▸ RXRA P19793 5/20 0.45
▸ RXRB P28702 4/20 0.45
▸ RXRG P48443 3/20 0.45
▸ PLA2G4B P0C869 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ FOLH1 Q04609 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 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
SCHEMBL8322839 0.92 PTGER4 (0.57) PTGER1PTGER4PTGER3PTGER2NR4A1
SCHEMBL8678253 0.85 CNR2 (0.48) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8327583 0.83 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2NR4A1
SCHEMBL8319420 0.82 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2NR4A1
SCHEMBL8328747 0.81 MAPT (0.54) PTGER1PTGER4PTGER3PTGER2PPIA
SCHEMBL8325162 0.80 PTGER1 (0.69) PTGER1PTGER4PTGER3PTGER2NR4A1
SCHEMBL8676662 0.79 ALDH1A1 (0.51) FOLH1POLBTSHRSMN1; SMN2MEN1
SCHEMBL8321768 0.79 PTGER1 (0.95) PTGER1PTGER4PTGER3PTGER2NR4A1
SCHEMBL8678257 0.79 TDP1 (0.50) PTGER1PTGER4PTGER3PTGER2PPIA
SCHEMBL8327698 0.79 PTGER1 (0.78) PTGER1PTGER4PTGER3PTGER2PPIA

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
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