SCHEMBL8362163

SCHEMBL8362163

[CH2]OC(=O)C1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NOS2 P35228 1/20 0.38
ALDH1A1 P00352 4/20 0.36
POLB P06746 3/20 0.36
SLC6A3 Q01959 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 2/20 0.33
RECQL P46063 1/20 0.33
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL306039 0.94
SCHEMBL7021086 0.94
SCHEMBL7016673 0.94
SCHEMBL27725570 0.83 HPGD (0.44) HPGDTSHRNPSR1NOS2ALDH1A1
SCHEMBL5046503 0.83 HPGD (0.44) HPGDTSHRNPSR1NOS2ALDH1A1
SCHEMBL27725568 0.81 HPGD (0.43) HPGDTSHRNPSR1NOS2ALDH1A1
SCHEMBL31343355 0.81 HPGD (0.43) HPGDTSHRNPSR1NOS2ALDH1A1
SCHEMBL30987827 0.79 HPGD (0.42) HPGDTSHRNPSR1NOS2ALDH1A1
SCHEMBL2200874 0.79 HPGD (0.49) HPGDTSHRNPSR1ALDH1A1POLB
SCHEMBL27530374 0.79 HPGD (0.49) HPGDTSHRNPSR1ALDH1A1POLB

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
US-5885981-A REACTING A HALOGENATED ALKYL COMPOUND WITH A PENEM COMPOUND SUNTORY LIMITED (JP) 1999-03-23 US disclosed
US-5830889-A ANTIBIOTIC IN ORAL DOSAGE FORMS SUNTORY LIMITED (JP) 1998-11-03 US disclosed
EP-0757050-A1 Antibacterial penem esters derivatives SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
EP-0544907-A1 ANTIBACTERIAL PENEM ESTERS DERIVATIVES SUNTORY LIMITED (JP) 1993-06-09 EP disclosed
WO-1992003442-A1 ANTIBACTERIAL PENEM ESTERS DERIVATIVES SUNTORY LIMITED (JP) 1992-03-05 WO disclosed