SCHEMBL9727115

SCHEMBL9727115

CCSC(=O)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
GSK3B P49841 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46

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
SCHEMBL24703568 0.89 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL775487 0.81 HDAC1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11424462 0.81 GSK3B (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8468502 0.81 LMNA (0.52) CYP1A2CYP2C19TSHRNOS1KDM4E
SCHEMBL21916235 0.80 GSK3B (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27261902 0.80 CA1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27794655 0.79 CA12 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1641518 0.78 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27045897 0.78 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30272530 0.77 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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 7 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-4489072-A BACTERICIDE, ANTIBIOTIC TOYAMA CHEMICAL CO., LTD. (JP) 1984-12-18 US disclosed