SCHEMBL9829454

SCHEMBL9829454

COc1ccc(COC(=O)NCCCCCC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
TGM2 P21980 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.50
FFAR1 O14842 1/20 0.50
FOLH1 Q04609 2/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL2678250 1.00 HTT (0.64) HTTKMT2AALDH1A1GLATGM2
SCHEMBL9830417 0.99 HTT (0.66) HTTKMT2AALDH1A1GLATGM2
SCHEMBL7009466 0.95 HTT (0.72) HTTKMT2AALDH1A1GLAPOLB
SCHEMBL9828159 0.89 HTT (0.58) HTTKMT2AALDH1A1GLANPC1
SCHEMBL9829906 0.86 HTT (0.68) HTTKMT2ATGM2FOLH1
SCHEMBL9830472 0.86 HTT (0.71) HTTKMT2ATGM2FOLH1
SCHEMBL9830594 0.85 HTT (0.69) HTTKMT2ATGM2FOLH1L3MBTL1
SCHEMBL2876850 0.85 HTT (0.88) HTTKMT2ATGM2FOLH1
SCHEMBL4858734 0.85 HTT (0.88) HTTKMT2ATGM2FOLH1
SCHEMBL4857273 0.85 HTT (0.88) HTTKMT2ATGM2FOLH1

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