SCHEMBL8104294

SCHEMBL8104294

Nc1ccn(C2(O)CC[C@@H](CO)O2)c(=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
PDE3A Q14432 3/20 0.41
CACNA1F O60840 2/20 0.41
ALB P02768 2/20 0.41
MAPT P10636 2/20 0.41
CACNA1D Q01668 2/20 0.41
CACNA1S Q13698 2/20 0.41
CACNA1C Q13936 2/20 0.41
PDE4D Q08499 1/20 0.40
SLC29A1 Q99808 1/20 0.40
THRB P10828 1/20 0.40
MTOR P42345 1/20 0.40
MDM2 Q00987 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
FGFR1 P11362 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC22A6 Q4U2R8 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
SCHEMBL30612477 0.85 LMNA (0.41) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL5903747 0.84 LMNA (0.40) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL4745588 0.84 PDE3A (0.45) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL27416424 0.81 LMNA (0.38) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL30818468 0.78 PDE3A (0.36) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL598527 0.78 ABL1 (0.40) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL10513954 0.77 DDB1 (0.36) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL3424602 0.77 PDE3A (0.47) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL6882615 0.76 LMNA (0.40) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL6858203 0.74 FGFR1 (0.37) LMNAPDE3ACACNA1FALBMAPT

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-6040297-A A THERAPEUTIC AGENTS TREATING TUMORS AND RETROVIRAL INFECTIONS INCLUDING HIV INFECTIONS BIOSEARCH ITALIA, S.P.A. (IT) 2000-03-21 US disclosed