SCHEMBL9506245

SCHEMBL9506245

NCC[C@H]1CC[C@@H](OC(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
LMNA P02545 1/20 0.36
NAAA Q02083 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SERPINE1 P05121 1/20 0.32
TPSAB1 Q15661 2/20 0.31
TPSD1 Q9BZJ3 2/20 0.31
TPSG1 Q9NRR2 2/20 0.31
KDM5A P29375 1/20 0.31
KDM7A Q6ZMT4 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
CYP19A1 P11511 1/20 0.30

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
SCHEMBL9504427 1.00 PLG (0.36) PLGPLATLMNANAAACHRM2
SCHEMBL29092690 0.84 ATM (0.40) PLGPLATLMNANAAACHRM2
SCHEMBL9505982 0.83 PLG (0.54) PLGPLATLMNATPSAB1TPSD1
SCHEMBL9506281 0.83 PLG (0.54) PLGPLATLMNATPSAB1TPSD1
SCHEMBL10812458 0.80 NAAA (0.41) LMNANAAACHRM2CHRM1CHRM3
SCHEMBL10718850 0.80 NAAA (0.41) LMNANAAACHRM2CHRM1CHRM3
SCHEMBL1958023 0.79 NAAA (0.31) NAAA
SCHEMBL11213691 0.79 KMT2A (0.35) PLGPLATLMNASERPINE1SLC1A3
SCHEMBL9505571 0.78 SERPINE1 (0.35) CHRM2CHRM1CHRM3SERPINE1TPSAB1
SCHEMBL9507196 0.78 SERPINE1 (0.35) CHRM2CHRM1CHRM3SERPINE1TPSAB1

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