SCHEMBL8325607

SCHEMBL8325607

COC(=O)c1ccc(CCc2ccccc2OCc2ccccc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.52
PTGER4 P35408 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
HTR1A P08908 4/20 0.51
DRD2 P14416 4/20 0.51
ABCB1 P08183 8/20 0.49
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 1/20 0.47
RXRA P19793 1/20 0.45
BRD4 O60885 1/20 0.45
KMT2A Q03164 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
PPIA P62937 1/20 0.44
ATM Q13315 1/20 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
SCHEMBL8323253 0.93 PTGER4 (0.59) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8676069 0.88 PTGER1 (0.63) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8324992 0.87 CCR5 (0.48) PTGER1LMNARAB9AHPGD
SCHEMBL8327306 0.85 GCK (0.53) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8326786 0.85 PTGER1 (0.42) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL8406671 0.84 HTR1A (0.66) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8675829 0.81 PTGER1 (0.71) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8328278 0.81 SMPD1 (0.56) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8325424 0.81 ABCB1 (0.50) HTR1ADRD2ABCB1LMNAKMT2A
SCHEMBL8022247 0.81 GABRA5 (0.52) PTGER1PTGER4PTGER3PTGER2LMNA

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
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed