SCHEMBL11243325

SCHEMBL11243325

CC(=O)N(c1cccc(N(C(C)=O)N2CCCC2=O)n1)N1CCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
XPO1 O14980 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
ALOX5 P09917 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL11240680 0.74 NPSR1 (0.36) GAAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL8892997 0.70 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11251996 0.70 ALDH1A1 (0.39) GAAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL12473809 0.68 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11242674 0.67 LMNA (0.40) GAAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL11240360 0.66 BRD4 (0.36) GAAALDH1A1KMT2ARAB9ANPC1
SCHEMBL28929645 0.65 ALDH1A1 (0.49) GAAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9587421 0.65 LMNA (0.38) ALDH1A1KMT2APOLBLMNAPKM
SCHEMBL11513983 0.64 TRPM8 (0.39) ALDH1A1CYP1A2CYP2D6CYP2C9MEN1
SCHEMBL11245719 0.64 LMNA (0.37) ALDH1A1CYP1A2KMT2APOLBLMNA

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
US-4324787-A 2-Oxo-1-pyrrolidineacetic acid compounds and their medicinal use TROPONWERKE GMBH & CO., KG (DE) 1982-04-13 US disclosed