SCHEMBL4609875

SCHEMBL4609875

COc1cc(C(=O)NC(=O)[C@@H](N)CC(C)C)cc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 2/20 0.43
AAK1 Q2M2I8 14/20 0.43
CIT O14578 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3439628 0.85 NAMPT (0.44) AAK1CYP3A4
SCHEMBL9115641 0.84 MMP2 (0.41) CYP1A2CYP3A4CYP2D6MAPTPKM
SCHEMBL20522666 0.81 AAK1 (0.56) LARS1AAK1CIT
SCHEMBL5055276 0.81 AAK1 (0.56) LARS1AAK1CIT
SCHEMBL985997 0.79 LARS1 (0.58) LARS1
Hydrochloric Acid SCHEMBL8669233 0.78 LARS1 (0.57) LARS1
SCHEMBL1404234 0.78 LTA4H (0.42) CYP1A2CYP3A4CYP2D6MAPTPKM
SCHEMBL11418814 0.77 AAK1 (0.42) LARS1AAK1CIT
Leucine SCHEMBL11418818 0.76 SLC7A5 (0.45) LARS1AAK1MAPT
Leucine SCHEMBL11418811 0.76 SLC7A5 (0.45) LARS1AAK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200405913-A1 INJECTABLE CELL AND SCAFFOLD COMPOSITIONS PROKIDNEY (KY) 2020-12-31 US disclosed
WO-2018183199-A1 INJECTABLE CELL AND SCAFFOLD COMPOSITIONS JAIN DEEPAK (US) 2018-10-04 WO disclosed
EP-0870054-B1 METHOD AND COMPOSITION FOR DETECTING BACTERIAL CONTAMINATION IN FOOD PRODUCTS BIOCONTROL SYSTEMS INC (US) 2008-07-30 EP disclosed
US-6472167-B1 MEASURE VIABLE BACTERIA AS A FUNCTION OF THE ACTIVITIES OF BACTERIAL ENZYMES, PHOSPHATASES, GLUCOSIDASES, AND AMINOPEPTIDASES; PRESENCE DETECTED BY A FLUORESCENT SIGNAL BIOCONTROL SYSTEMS, INC. 2002-10-29 US disclosed
US-6387650-B1 INNOCULATING AND INCUBATING TEST SAMPLE ON GROWTH MEDIUM HAVING ENZYME SUBSTRATES FOR PHOSPHATASE, GLYCOSIDASE, AND PEPTIDASE, THEN DETECTING OR MEASURING SIGNAL PRODUCED BY THE HYDROLYSIS OF THE SUBSTRATES BIOCONTROL SYSTEMS, INC. 2002-05-14 US disclosed