SCHEMBL9830853

SCHEMBL9830853

O=C(CNC(=O)c1cccc2ccccc12)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ELANE P08246 2/20 0.52
CTSB P07858 2/20 0.52
CTSV O60911 1/20 0.52
CTSL P07711 1/20 0.52
CTSS P25774 1/20 0.52
CAPN1 P07384 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CCKAR P32238 1/20 0.47
CCKBR P32239 1/20 0.47
ACE P12821 2/20 0.47
BACE1 P56817 1/20 0.47
FTO Q9C0B1 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 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
SCHEMBL9830858 1.00 MEN1 (0.56) MEN1KMT2AELANECTSBCTSV
SCHEMBL10658026 0.87 ELANE (0.64) MEN1KMT2AELANECTSBCTSV
SCHEMBL9716712 0.87 ELANE (0.64) MEN1KMT2AELANECTSBCTSV
SCHEMBL11024341 0.84 KDM4E (0.53) ELANECAPN1L3MBTL1ACE
SCHEMBL29359320 0.82 ACE (0.49) L3MBTL1ACE
SCHEMBL828728 0.80 ACE (0.65) CTSLCTSSL3MBTL1ACE
SCHEMBL5679006 0.80 ACE (0.65) CTSLCTSSL3MBTL1ACE
SCHEMBL7648431 0.80 ELANE (0.59) MEN1KMT2AELANECTSBCTSV
SCHEMBL9830982 0.80 MEN1 (0.58) MEN1KMT2AELANECTSBCTSV
SCHEMBL9830992 0.80 MEN1 (0.58) MEN1KMT2AELANECTSBCTSV

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