SCHEMBL8318978

SCHEMBL8318978

CCOC(=O)c1ccc(CCCc2ccc(N)cc2OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.56
PTGER4 P35408 2/20 0.56
PTGER3 P43115 2/20 0.56
PTGER2 P43116 2/20 0.56
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PPIA P62937 2/20 0.46
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 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
SCHEMBL8322219 0.84 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2NPC1
SCHEMBL8323878 0.81 PKM (0.51) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8319879 0.81 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2RAB9A
SCHEMBL25340300 0.79 SMN1; SMN2 (0.69) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL8050948 0.78 CYP19A1 (0.49) PTGER1PTGER4PTGER3PTGER2RAB9A
SCHEMBL9058140 0.78 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2NPC1
SCHEMBL8522725 0.77 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2LMNA
Hydrochloric Acid SCHEMBL27619503 0.77 CYP19A1 (0.48) PTGER1PTGER4PTGER3PTGER2RAB9A
SCHEMBL6261303 0.76 LMNA (0.53) PTGER1PTGER4PTGER3PTGER2NPC1
SCHEMBL8325118 0.76 PTGER1 (0.60) PTGER1PTGER4PTGER3PTGER2NPC1

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
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed