SCHEMBL8085776

SCHEMBL8085776

CCCCNC(=O)N(C(=O)O)C(=O)c1nc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
BCHE P06276 1/20 0.49
TRPC3 Q13507 1/20 0.49
TRPC4 Q9UBN4 1/20 0.49
TRPC5 Q9UL62 1/20 0.49
DAGLA Q9Y4D2 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
XDH P47989 1/20 0.45

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
SCHEMBL3706435 0.83 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1BCHETRPC3
SCHEMBL8594130 0.82 HDAC3 (0.60) ALDH1A1RAB9ANPC1BCHETRPC3
Carbamic Acid SCHEMBL11235370 0.81 HDAC3 (0.55) ALDH1A1RAB9ANPC1BCHETRPC3
SCHEMBL10576084 0.79 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1BCHETRPC3
SCHEMBL28378029 0.79 HDAC3 (0.58) ALDH1A1RAB9ANPC1BCHETRPC3
SCHEMBL28373629 0.78 DAGLA (0.58) ALDH1A1RAB9ANPC1BCHETRPC3
SCHEMBL28378370 0.78 DAGLA (0.58) ALDH1A1RAB9ANPC1BCHETRPC3
SCHEMBL28372899 0.78 DAGLA (0.58) ALDH1A1RAB9ANPC1BCHETRPC3
SCHEMBL1010436 0.74 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1BCHETRPC3
SCHEMBL28377716 0.74 HDAC3 (0.65) ALDH1A1RAB9ANPC1DAGLASMN1; SMN2

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-0817564-B1 MEDIUM FOR STORING, TRANSPORTING AND/OR GROWING A PLANT RANPAK CORP (US) 2000-10-11 EP claimed