SCHEMBL8326018

SCHEMBL8326018

CCOC(=O)Nc1ccc(OCc2ccccc2)c(CCCc2ccc(C(=O)OC)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.51
PTGER4 P35408 2/20 0.51
PTGER3 P43115 2/20 0.51
PTGER2 P43116 2/20 0.51
PPIA P62937 2/20 0.46
MTNR1A P48039 4/20 0.46
MTNR1B P49286 3/20 0.46
MAPT P10636 5/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 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
SCHEMBL8320635 0.88 MEN1 (0.56) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL8324167 0.85 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2PPIA
SCHEMBL8325723 0.84 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL8325792 0.83 PTGER1 (0.60) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL8319855 0.82 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL8321834 0.82 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL8324226 0.81 SMPD1 (0.56) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL8323803 0.81 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL8409731 0.81 SMN1; SMN2 (0.51) PTGER1PTGER4PTGER3PTGER2PPIA
SCHEMBL9067511 0.81 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2MTNR1A

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 2 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