SCHEMBL9727296

SCHEMBL9727296

[CH2]/C=C1\OC(=O)c2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.44
S100A4 P26447 2/20 0.44
METAP1 P53582 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL9727301 1.00 PPOX (0.44) PPOXS100A4METAP1ALDH1A1KDM4E
SCHEMBL20932736 0.79 PPOX (0.48) PPOXS100A4METAP1KDM4ECA12
SCHEMBL79617 0.78 S100A4 (0.56) PPOXS100A4ALDH1A1KDM4ETDP1
SCHEMBL10587103 0.77 S100A4 (0.54) PPOXS100A4ALDH1A1KDM4ETDP1
SCHEMBL4668872 0.77 S100A4 (0.54) PPOXS100A4ALDH1A1KDM4ETDP1
SCHEMBL31376098 0.77 S100A4 (0.54) PPOXS100A4ALDH1A1KDM4ETDP1
SCHEMBL304550 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL304549 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL17195907 0.76 S100A4 (0.48) PPOXS100A4METAP1KDM4ETDP1
SCHEMBL9727176 0.75 MAOB (0.44) METAP1ALDH1A1KDM4EHPGDCA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5144027-A Cephalosporins, process for producing the same, intermediates thereof and process for producing the intermediates TOYAMA CHEMICAL CO., LTD. (JP) 1992-09-01 US disclosed
US-4879381-A ANTIBIOTICS TOYOMA CHEMICAL COMPANY, LTD. (JP) 1989-11-07 US disclosed
US-4717767-A ANTIBIOTICS TOYAMA CHEMICAL CO., LTD. (JP) 1988-01-05 US disclosed
US-4698352-A 4-oxo-1,4-dihydronicotinic acid derivatives, salts thereof, and antibacterial agents containing the same TOYAMA CHEMICAL CO., LTD. (JP) 1987-10-06 US disclosed
US-4673738-A Novel intermediates of cephalosporins and process for producing 7-(substituted or unsubstituted amino)-3-substituted methyl-Δ3 -cephem-4-carboxylic acids HANDI-PAC INC. (US) 1987-06-16 US disclosed
US-4618606-A Antibiotic 7-(thiazolyl)-3-(pyrazinylmethyl) or (pyridazinylmethyl) cephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1986-10-21 US disclosed
US-4610983-A N-acyl acidic amino acid diamide derivative, a salt thereof, and an anti-ulcer agent containing the same TOYAMA CHEMICAL CO., LTD. (JP) 1986-09-09 US disclosed
US-4489072-A BACTERICIDE, ANTIBIOTIC TOYAMA CHEMICAL CO., LTD. (JP) 1984-12-18 US disclosed