SCHEMBL7273307

SCHEMBL7273307

CC(=O)CC(=O)OCCNCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
TAAR1 Q96RJ0 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
SIGMAR1 Q99720 5/20 0.46
ALDH1A1 P00352 2/20 0.46
LTA4H P09960 3/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44

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
SCHEMBL11404773 0.86 DRD4 (0.54) GAAMEN1KMT2ATDP1ATM
SCHEMBL3345622 0.85 TDP1 (0.59) TDP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7629438 0.83 LMNA (0.60) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL9212249 0.80 LMNA (0.65) GAATAAR1MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL10658571 0.79 GAA (0.49) GAATAAR1MEN1KMT2ATDP1
SCHEMBL7382600 0.78 ALDH1A1 (0.51) KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL9261769 0.77 ALDH1A1 (0.66) GAAMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL28318418 0.77 ALDH1A1 (0.50) KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL12088285 0.76 MAPT (0.42) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL11307950 0.76 THRB (0.56) GAATAAR1MEN1KMT2ATDP1

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
EP-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed
EP-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 EP disclosed