SCHEMBL11469731

SCHEMBL11469731

Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ KEAP1 Q14145 5/20 0.49
▸ NFE2L2 Q16236 3/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TAS2R14 Q9NYV8 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ C5AR1 P21730 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP12 P39900 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ MMP16 P51512 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45

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
SCHEMBL11473205 0.83 MAPK1 (0.52) HSD17B10KEAP1NFE2L2SMN1; SMN2RXFP1
SCHEMBL14470257 0.77 ALDH1A1 (0.69) KDM4ECA12CA9TAS2R14LMNA
SCHEMBL29965637 0.77 ALDH1A1 (0.55) KDM4EHSD17B10SMN1; SMN2TAS2R14RXFP1
SCHEMBL4771204 0.76 KEAP1 (0.66) KDM4EHSD17B10KEAP1NFE2L2SMN1; SMN2
SCHEMBL5450808 0.75 ALDH1A1 (0.62) KDM4ELMNAHTTALDH1A1
SCHEMBL9302981 0.74 NR1H3 (0.61) CA12CA9TAS2R14LMNAHTT
SCHEMBL753112 0.73 AKR1B1 (0.55) ALDH1A1
SCHEMBL11473046 0.73 MEN1 (0.67) CA12CA9SMN1; SMN2LMNAHTT
SCHEMBL30721053 0.73 KEAP1 (0.54) KDM4EHSD17B10KEAP1NFE2L2CA12
SCHEMBL11603483 0.72 RECQL (0.59) KDM4EHSD17B10KEAP1NFE2L2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4198506-A INTERMEDIATES FOR THE CORRESPONDING 3-SUBSTITUTED 3-CEPHEM-4-CARBOXYLIC ACIDS BRISTOL-MYERS COMPANY (US) 1980-04-15 — — US disclosed
US-4151352-A CEPHALOSPORINS, BACTERICIDES BRISTOL-MYERS COMPANY (US) 1979-04-24 — — US disclosed
US-4082912-A ANTIBACTERIAL BRISTOL-MYERS COMPANY (US) 1978-04-04 — — US disclosed
Send feedback