SCHEMBL9505573

SCHEMBL9505573

NC[C@@H]1CCC[C@@H](OC(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
TPSAB1 Q15661 3/20 0.38
TPSD1 Q9BZJ3 3/20 0.38
TPSG1 Q9NRR2 3/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
LMNA P02545 1/20 0.38
SLC1A3 P43003 4/20 0.34
SLC1A2 P43004 4/20 0.34
SLC1A1 P43005 4/20 0.34
SERPINE1 P05121 1/20 0.33
ALOX5 P09917 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
ANPEP P15144 1/20 0.32
MC4R P32245 1/20 0.32
MC5R P33032 1/20 0.32
MC3R P41968 1/20 0.32
PEPD P12955 1/20 0.32
GABRR1 P24046 4/20 0.31

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
SCHEMBL9504357 1.00 CYP2D6 (0.40) CYP2D6TPSAB1TPSD1TPSG1PLG
SCHEMBL9507196 0.86 SERPINE1 (0.35) CYP2D6TPSAB1TPSD1TPSG1SLC1A3
SCHEMBL9505571 0.86 SERPINE1 (0.35) CYP2D6TPSAB1TPSD1TPSG1SLC1A3
SCHEMBL16513267 0.85 TPSAB1 (0.38) CYP2D6TPSAB1TPSD1TPSG1PLG
SCHEMBL28047885 0.80 EPHX1 (0.40) CYP2D6TPSAB1TPSD1TPSG1PLG
SCHEMBL1530972 0.80 SERPINE1 (0.46) SERPINE1GRM2GRM3
SCHEMBL29845 0.80 SERPINE1 (0.46) SERPINE1GRM2GRM3
SCHEMBL541855 0.80 SERPINE1 (0.46) SERPINE1GRM2GRM3
Bicarbonate SCHEMBL25268053 0.78 CYP2D6 (0.48) CYP2D6PLGPLATLMNASLC1A3
SCHEMBL9506281 0.76 PLG (0.54) CYP2D6TPSAB1TPSD1TPSG1PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0329105-B1 MOLECULAR WEIGHT CONTROLLER FOR POLYMERIZATION OF LACTAMS TO POLYAMIDES BASF Corporation (US) 1993-07-07 EP claimed