SCHEMBL20399124

SCHEMBL20399124

COC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 1/20 0.43
EPHX1 P07099 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HPGD P15428 1/20 0.41
NR1H2 P55055 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
STS P08842 1/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1514910 1.00 USP2 (0.47) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL30405864 0.94 MEN1 (0.45) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL1505020 0.85 USP2 (0.49) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL6424563 0.84 SMN1; SMN2 (0.45) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL24669979 0.83 USP2 (0.50) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL27365962 0.83 USP2 (0.50) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL64202 0.83 USP2 (0.50) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL30184040 0.83 CYP2C9 (0.45) USP2SMN1; SMN2ALDH1A1EPHX2
Lithium SCHEMBL31218220 0.82 USP2 (0.49) USP2SMN1; SMN2HTTATMALDH1A1
Hydrochloric Acid SCHEMBL2419232 0.82 USP2 (0.49) USP2SMN1; SMN2HTTATMALDH1A1

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-3601249-A1 METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES AND EWING'S SARCOMA Kura Oncology, Inc. (US) 2020-02-05 EP disclosed
WO-2018175746-A1 METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES AND EWING'S SARCOMA KURA ONCOLOGY, INC. (US) 2018-09-27 WO disclosed
WO-2018134213-A1 JAK1 SELECTIVE INHIBITORS ASTRAZENECA AB (SE) 2018-07-26 WO disclosed