SCHEMBL8322249

SCHEMBL8322249

O=C(O)c1ccc(CCCc2cc([N+](=O)[O-])ccc2OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 2/20 0.67
▸ PTGER4 P35408 2/20 0.67
▸ PTGER3 P43115 2/20 0.67
▸ PTGER2 P43116 2/20 0.67
▸ MEN1 O00255 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CYP19A1 P11511 6/20 0.50
▸ PLA2G4B P0C869 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ CYP11B1 P15538 2/20 0.46
▸ CYP11B2 P19099 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL8324001 0.90 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8675698 0.86 MEN1 (0.52) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8409637 0.84 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8321346 0.84 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2NPC1
SCHEMBL8318002 0.82 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL8323835 0.82 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL8324900 0.82 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2NPC1
SCHEMBL9058140 0.82 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2MAPT
SCHEMBL8322711 0.82 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8675702 0.82 MAPT (0.50) PTGER1PTGER4PTGER3PTGER2MEN1

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 5 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
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
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