SCHEMBL8323253

SCHEMBL8323253

COC(=O)c1ccc(CCCc2ccccc2OCc2ccccc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.59
PTGER3 P43115 3/20 0.59
PTGER2 P43116 3/20 0.59
PTGER1 P34995 2/20 0.59
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.45
MGLL Q99685 1/20 0.45
ABCB1 P08183 3/20 0.44
MTNR1B P49286 2/20 0.44
MTNR1A P48039 1/20 0.43
RXRA P19793 1/20 0.43
BRD4 O60885 1/20 0.43
KMT2A Q03164 1/20 0.43
PPIA P62937 1/20 0.43
ATM Q13315 1/20 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
SCHEMBL8325607 0.93 PTGER1 (0.52) PTGER4PTGER3PTGER2PTGER1HTR1A
SCHEMBL8675829 0.89 PTGER1 (0.71) PTGER4PTGER3PTGER2PTGER1HTR1A
SCHEMBL8322717 0.85 PTGER1 (0.77) PTGER4PTGER3PTGER2PTGER1HTR1A
SCHEMBL9064386 0.83 PTGER1 (0.73) PTGER4PTGER3PTGER2PTGER1HTR1A
SCHEMBL8327569 0.82 PTGER1 (0.73) PTGER4PTGER3PTGER2PTGER1HTR1A
SCHEMBL8324233 0.82 PTGER4 (0.61) PTGER4PTGER3PTGER2PTGER1HTR1A
SCHEMBL8676069 0.81 PTGER1 (0.63) PTGER4PTGER3PTGER2PTGER1HTR1A
SCHEMBL8324992 0.81 CCR5 (0.48) PTGER1LMNARAB9AHPGD
SCHEMBL7774976 0.81 PTGER1 (0.59) PTGER4PTGER3PTGER2PTGER1HTR1A
SCHEMBL8327593 0.81 PTGER4 (0.62) PTGER4PTGER3PTGER2PTGER1HTR1A

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