SCHEMBL9832057

SCHEMBL9832057

CCC(NC(=O)c1cccc(S(=O)(=O)O)c1)(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KAT6A Q92794 4/20 0.43
POLB P06746 2/20 0.42
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
RAB9A P51151 2/20 0.40
HTT P42858 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL9832063 1.00 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMEN1KMT2ATSHR
SCHEMBL3923935 0.83 POLB (0.50) SMN1; SMN2LMNAGAAHSD17B10POLB
SCHEMBL16245082 0.76 POLB (0.46) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL2282705 0.76 MAOA (0.48) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL8707463 0.72 CYP2C19 (0.48) SMN1; SMN2MEN1KMT2ATSHRALDH1A1
SCHEMBL9829583 0.71 CXCR2 (0.42) LMNAKMT2ATSHRALDH1A1HSD17B10
SCHEMBL9829581 0.71 CXCR2 (0.42) LMNAKMT2ATSHRALDH1A1HSD17B10
SCHEMBL7454308 0.71 HDAC8 (0.58) SMN1; SMN2LMNAMEN1KMT2ATSHR
SCHEMBL7784153 0.70 SMN1; SMN2 (0.67) SMN1; SMN2LMNAMEN1KMT2ATSHR
SCHEMBL18112741 0.70 KMT2A (0.43) LMNAMEN1KMT2AHTTHDAC2

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
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed