SCHEMBL7867023

SCHEMBL7867023

COC(c1ccccc1)N(CC(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.40
NR1H3 Q13133 4/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 3/20 0.37
RECQL P46063 1/20 0.37
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL23422467 0.80 ALDH1A1 (0.40) SMN1; SMN2TSHRALDH1A1GLAMAPK1
SCHEMBL3863960 0.75 ALDH1A1 (0.49) KMT2ASMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL27532029 0.75 LMNA (0.41) KMT2ARECQLALDH1A1
SCHEMBL547492 0.74 ALDH1A1 (0.43) KMT2ASMN1; SMN2TSHRALDH1A1GLA
SCHEMBL16858004 0.73 NPSR1 (0.41) KMT2ASMN1; SMN2TSHRALDH1A1GLA
SCHEMBL547805 0.73 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2TSHRALDH1A1GLA
SCHEMBL9949399 0.72 TRPM8 (0.44) NR1H2NR1H3SMN1; SMN2MAPK1
SCHEMBL7639218 0.72 NPSR1 (0.40) KMT2ASMN1; SMN2TSHRALDH1A1GLA
SCHEMBL8597741 0.70 NPSR1 (0.39) KMT2ASMN1; SMN2TSHRALDH1A1GLA
SCHEMBL11329376 0.70 KMT2A (0.46) KMT2AGAATSHRALDH1A1MAPK1

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-6300495-B1 REACTING ORGANIC AMINE SALT OF CLAVULANIC ACID WITH METAL SALT IN LIQUID MEDIUM OF FLUORINATED AND/OR CHLORINATED HYDROCARBON SMITHKLINE BEECHAM P.L.C. (GB) 2001-10-09 US disclosed
EP-0804441-A1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM PLC (GB) 1997-11-05 EP disclosed
WO-1996022296-A1 CLAVULANIC ACID EXTRACTION PROCESS SMITHKLINE BEECHAM P.L.C. (GB) 1996-07-25 WO disclosed