SCHEMBL8976845

SCHEMBL8976845

CCOC(=O)[C@H](CC(C)C)NNCCCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 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
SCHEMBL8017285 0.83 CAPN1 (0.46) CAPN1MEN1KMT2AGAATDP1
SCHEMBL15374288 0.77 CYP1A2 (0.59) CAPN1GAAMAPTCTSLCTSB
SCHEMBL15107084 0.77 CYP1A2 (0.59) CAPN1GAAMAPTCTSLCTSB
SCHEMBL9596442 0.77 CYP1A2 (0.59) CAPN1GAAMAPTCTSLCTSB
SCHEMBL16707774 0.76 MEN1 (0.51) CAPN1MEN1KMT2AGAATDP1
Hydrochloric Acid SCHEMBL30231858 0.74 CAPN1 (0.46) CAPN1MEN1KMT2AGAATDP1
SCHEMBL21001852 0.74 MEN1 (0.60) CAPN1MEN1KMT2AGAATDP1
SCHEMBL4474428 0.73 MEN1 (0.62) MEN1KMT2AGAATDP1NPSR1
SCHEMBL569251 0.72 TDP1 (0.74) MEN1KMT2AGAATDP1NPSR1
SCHEMBL18360203 0.72 CTSK (0.56) CAPN1MEN1KMT2AGAATDP1

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-0706532-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-17 EP disclosed
WO-1995000537-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO disclosed