SCHEMBL8968249

SCHEMBL8968249

NCC1CCC(CC(=O)C(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.56
PLAT P00750 1/20 0.56
LMNA P02545 1/20 0.56
CYP2D6 P10635 1/20 0.41
ANPEP P15144 1/20 0.36
ENPEP Q07075 1/20 0.36
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
F2 P00734 1/20 0.33
NCF1 P14598 1/20 0.33
GABRR1 P24046 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRR2 P28476 1/20 0.32
ALOX5 P09917 1/20 0.31
OR51E2 Q9H255 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
TPSAB1 Q15661 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
SCHEMBL9438614 1.00 PLG (0.56) PLGPLATLMNACYP2D6ANPEP
SCHEMBL6978161 0.88
Oxalic Acid SCHEMBL736575 0.83 PLG (0.68) PLGPLATLMNACYP2D6ANPEP
SCHEMBL10341442 0.81 PLG (0.60) PLGPLATLMNACYP2D6ANPEP
SCHEMBL14416203 0.81 PLG (0.60) PLGPLATLMNACYP2D6ANPEP
Bicarbonate SCHEMBL25270175 0.80 PLG (0.71) PLGPLATLMNACYP2D6ANPEP
Hydrochloric Acid SCHEMBL1934473 0.79 PLG (0.58) PLGPLATLMNACYP2D6ANPEP
Hydrochloric Acid SCHEMBL9991894 0.79 PLG (0.58) PLGPLATLMNACYP2D6ANPEP
SCHEMBL8090333 0.78 KMT2A (0.45) LMNACYP2D6SLC1A3SLC1A2SLC1A1
SCHEMBL31277089 0.78 KMT2A (0.40) LMNASLC1A3SLC1A2SLC1A1ALOX5

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
EP-0473502-B1 Washing composition capable of preventing and ameliorating skin irritation SHISEIDO CO LTD (JP) 1996-02-14 EP claimed
US-5306444-A Containing protease inhibitor SHISEIDO COMPANY LTD. (JP) 1994-04-26 US claimed
EP-0473502-A1 Washing composition capable of preventing and ameliorating skin irritation SHISEIDO COMPANY LIMITED (JP) 1992-03-04 EP claimed
EP-0473502-B1 Washing composition capable of preventing and ameliorating skin irritation SHISEIDO CO LTD (JP) 1996-02-14 EP disclosed
US-5306444-A Containing protease inhibitor SHISEIDO COMPANY LTD. (JP) 1994-04-26 US disclosed