SCHEMBL9716712

SCHEMBL9716712

O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
CTSB P07858 2/20 0.61
CAPN1 P07384 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
CTSV O60911 1/20 0.57
CTSL P07711 1/20 0.57
CTSS P25774 1/20 0.57
CCKAR P32238 1/20 0.56
CCKBR P32239 1/20 0.56
FTO Q9C0B1 2/20 0.55
HRH4 Q9H3N8 1/20 0.55
BACE1 P56817 1/20 0.54

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
SCHEMBL10658026 1.00 ELANE (0.64) ELANEMEN1KMT2ACTSBCAPN1
SCHEMBL7648431 0.92 ELANE (0.59) ELANEMEN1KMT2ACTSBCAPN1
SCHEMBL7646585 0.91 CTSB (0.58) ELANEMEN1KMT2ACTSBCAPN1
SCHEMBL9830992 0.89 MEN1 (0.58) ELANEMEN1KMT2ACTSBCAPN1
SCHEMBL9830982 0.89 MEN1 (0.58) ELANEMEN1KMT2ACTSBCAPN1
SCHEMBL4797956 0.89 HRH4 (0.58) ELANEMEN1KMT2ACTSBCAPN1
SCHEMBL9830853 0.87 MEN1 (0.56) ELANEMEN1KMT2ACTSBCAPN1
SCHEMBL9830858 0.87 MEN1 (0.56) ELANEMEN1KMT2ACTSBCAPN1
SCHEMBL8014171 0.87 CCR3 (0.66) ELANEMEN1KMT2ACTSBCAPN1
SCHEMBL7608481 0.87 CCR3 (0.66) ELANEMEN1KMT2ACTSBCAPN1

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-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed