SCHEMBL9727370

SCHEMBL9727370

CCC(C)(C)OC(=O)Nc1nc(CC(=O)O)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 6/20 0.51
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 3/20 0.46
KCNH2 Q12809 1/20 0.46
GAA P10253 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
MME P08473 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL299175 0.88 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPK1TSHRPOLB
SCHEMBL9658290 0.86 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1MAPK1TSHRPOLB
SCHEMBL7843059 0.84 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MAPK1TSHRPOLB
SCHEMBL12368644 0.82 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPK1TSHRPOLB
Trifluoromethanesulfonic Acid SCHEMBL29356486 0.80 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPK1TSHRPOLB
SCHEMBL9659962 0.80 L3MBTL1 (0.43) SMN1; SMN2ALDH1A1MAPK1TSHRLMNA
SCHEMBL11008582 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPK1TSHRPOLB
SCHEMBL2175797 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPK1TSHRLMNA
SCHEMBL7419507 0.76 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPK1TSHRPOLB
SCHEMBL29557286 0.76 SIRT1 (0.53) SMN1; SMN2ALDH1A1MAPK1TSHRLMNA

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 6 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-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