SCHEMBL7901353

SCHEMBL7901353

CC(=O)N[C@@H](C)C(=O)Oc1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 2/20 0.47
TACR1 P25103 1/20 0.46
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
ACACB O00763 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FAAH O00519 1/20 0.43
EPHX1 P07099 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL2968424 0.82 MTNR1A (0.54) MAPTKMT2AMEN1GAAACACB
SCHEMBL4958520 0.82 TACR1 (0.50) RECQLTACR1ACACBALDH1A1CASP3
SCHEMBL4320299 0.82 KDM4E (0.67) RECQLMAPTKMT2AMEN1TDP1
SCHEMBL30511512 0.82 KDM4E (0.67) RECQLMAPTKMT2AMEN1TDP1
SCHEMBL28536811 0.82 KDM4E (0.67) RECQLMAPTKMT2AMEN1TDP1
SCHEMBL31322986 0.80 ELANE (0.57) RECQLMAPTKMT2AMEN1TDP1
SCHEMBL11996303 0.80 ELANE (0.57) RECQLMAPTKMT2AMEN1TDP1
Formaldehyde SCHEMBL28231874 0.80 MTNR1A (0.51) MAPTKMT2AMEN1GAAACACB
Acetone SCHEMBL15224657 0.80 KMT2A (0.51) RECQLMAPTKMT2AMEN1TDP1
SCHEMBL18256 0.79 KMT2A (0.54) RECQLMAPTKMT2AMEN1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187579-B1 MUTANT CARBOXYPEPTIDASE HAVING A MODIFIED S1 SUBSITE; FOR EFFICIENT TRANSACYLATION OF A PRESELECTED PEPTIDE SUBSTRATE WITH A PRESELECTED NUCLEOPHILE CARLSBERG A/S (DK) 2001-02-13 US disclosed
US-5945329-A MUTANT CARBOXYPEPTIDASE Y WITH MODIFIED ACTIVE SITES ABLE TO CATALYZE TRANACYLATION OF PRESELECTED PEPTIDE SUBSTRATE WITH PRESELECTED NUCLEOPHILE; FOR POST-TRANSLATIONAL MODIFICATION OF RECOMBINANT PEPTIDES CARLSBERG A/S (DK) 1999-08-31 US disclosed