SCHEMBL6819738

SCHEMBL6819738

CCCCOC(=O)N1CCC(O)[C@H]1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.34
FKBP1A P62942 3/20 0.34
MMP3 P08254 2/20 0.33
MMP9 P14780 2/20 0.33
MMP13 P45452 2/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 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
SCHEMBL6052893 1.00 GBA2 (0.45) GBA2SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL15715693 0.91 GBA2 (0.47) GBA2SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL15715217 0.88 GBA2 (0.47) GBA2SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL25348025 0.88 GBA2 (0.47) GBA2SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL18614400 0.86 SMN1; SMN2 (0.40) GBA2SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL17674467 0.82 GBA2 (0.44) GBA2SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL3391192 0.80 CYP3A4 (0.42) GBA2SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL17154832 0.78 LMNA (0.43) GBA2SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL7455919 0.78 LMNA (0.43) GBA2SMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL7455910 0.78 LMNA (0.43) GBA2SMN1; SMN2LMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7101935-A None JP disclosed
WO-2004043366-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 WO disclosed
JP-H07101935-A CRYSTALLIZATION OF N-ALKOXYCARBONYLAMINO ACID ESTER TOKUYAMA CORP 1995-04-18 JP disclosed