SCHEMBL9688830

SCHEMBL9688830

CCC(C)C(NC(=N)N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.51
CA2 P00918 5/20 0.47
CA1 P00915 4/20 0.47
FPR2 P25090 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ATM Q13315 1/20 0.45
ENPEP Q07075 2/20 0.44
MAPK1 P28482 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
TYR P14679 1/20 0.40

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
SCHEMBL9688834 1.00 ALDH1A1 (0.59) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL6534356 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL1237677 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL6534673 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL29866751 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL3281651 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL3281647 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL1234867 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL1234865 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL12205311 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1CA2CA1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0476933-A1 Neurotrophic peptide derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-03-25 EP claimed
EP-0476933-A1 Neurotrophic peptide derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-03-25 EP disclosed