SCHEMBL8324167

SCHEMBL8324167

COC(=O)c1ccc(CCCc2cc(NC(=O)C(F)(F)F)ccc2OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.51
PTGER4 P35408 2/20 0.51
PTGER3 P43115 2/20 0.51
PTGER2 P43116 2/20 0.51
MTNR1B P49286 3/20 0.46
MTNR1A P48039 4/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
C5AR1 P21730 2/20 0.43
PPIA P62937 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42

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) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8326018 0.85 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8325723 0.84 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8325792 0.83 PTGER1 (0.60) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8319766 0.82 PTGER1 (0.50) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8319855 0.82 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8321834 0.82 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8319771 0.81 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8323803 0.81 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8318734 0.81 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2MTNR1B

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 4 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
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed