SCHEMBL8325918

SCHEMBL8325918

COC(=O)c1ccc(CCCc2cc(OCC(N)=O)ccc2OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.55
MTNR1A P48039 7/20 0.54
PTGER1 P34995 2/20 0.54
PTGER4 P35408 2/20 0.54
PTGER3 P43115 2/20 0.54
PTGER2 P43116 2/20 0.54
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
LNPEP Q9UIQ6 1/20 0.45
SMPD1 P17405 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL8322025 0.90 PTGER1 (0.67) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8319879 0.85 PTGER1 (0.58) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8325792 0.85 PTGER1 (0.60) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8325723 0.84 PTGER1 (0.59) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8321834 0.84 PTGER1 (0.59) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8319855 0.84 PTGER1 (0.59) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8324157 0.84 PTGER1 (0.56) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL9067511 0.83 PTGER1 (0.58) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8318734 0.83 PTGER1 (0.58) MTNR1BMTNR1APTGER1PTGER4PTGER3
SCHEMBL8322717 0.83 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2MEN1

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 5 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
US-5798343-A TREATING GRAM-NEGATIVE BACTERIA WITH HYDROFLUORIC ACID, HYDROLYZING OR METHOLYZING, PERMETHYLATING FORSCHUNGSINSTITUT BORSTEL INSTITUT FUR EXPERIMENTELLE BIOLOGIE UND MEDIZIN (DE) 1998-08-25 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