SCHEMBL9763836

SCHEMBL9763836

O=C(O)C1(OCc2ccccc2)CCCCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
AKR1C1 Q04828 1/20 0.38
GLA P06280 1/20 0.37
ADRB2 P07550 1/20 0.37
HTT P42858 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL8126802 0.95 DDB1 (0.40) ALDH1A1MAPK1L3MBTL1DDB1CRBN
SCHEMBL6737982 0.95 DDB1 (0.40) ALDH1A1MAPK1L3MBTL1DDB1CRBN
Hydrochloric Acid SCHEMBL5862748 0.94 DDB1 (0.39) ALDH1A1MAPK1L3MBTL1DDB1CRBN
SCHEMBL5635258 0.81 ALDH1A1 (0.42) ALDH1A1DDB1CRBN
SCHEMBL7339530 0.81 TDP1 (0.39) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL11435272 0.80 DDB1 (0.41) ALDH1A1MAPK1L3MBTL1DDB1CRBN
SCHEMBL376160 0.76 AKT1 (0.36) L3MBTL1DDB1CRBNTACR1
SCHEMBL7313309 0.76 FFAR4 (0.38) MAPK1DDB1CRBNGLAHTT
SCHEMBL3660749 0.75 DDB1 (0.48) ALDH1A1MAPK1L3MBTL1DDB1CRBN
SCHEMBL8141759 0.75 DDB1 (0.48) ALDH1A1MAPK1L3MBTL1DDB1CRBN

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-0439444-A2 Synthesis of chiral pyrrolidine and piperidine glycosidase inhibitors MONSANTO COMPANY (US) 1991-07-31 EP disclosed
US-5013842-A Synthesis of chiral pyrrolidine and piperidine glycosidase inhibitors MONSANTO COMPANY (US) 1991-05-07 US disclosed