SCHEMBL9727188

SCHEMBL9727188

[CH2]C=C1OC(=O)c2ccc(F)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ALOX15 P16050 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CYP1A2 P05177 2/20 0.34

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
SCHEMBL9727185 1.00 CA1 (0.38) CA1CA2CA7CA9ALDH1A1
SCHEMBL72124 0.78 ALOX15 (0.52) CA1CA2CA7CA9ALDH1A1
SCHEMBL28581666 0.78 KDM4E (0.67) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL304550 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL304549 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL25309655 0.72 TRPA1 (0.43) ALDH1A1TSHRMAPK1TRPA1
SCHEMBL9727301 0.71 PPOX (0.44) CA1CA2CA7CA9ALDH1A1
SCHEMBL9727296 0.71 PPOX (0.44) CA1CA2CA7CA9ALDH1A1
SCHEMBL30132771 0.68 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDL3MBTL1TDP1
SCHEMBL9727176 0.68 MAOB (0.44) CA1CA2CA7CA9ALDH1A1

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