SCHEMBL7360133

SCHEMBL7360133

CC(C)C[C@H](NC(=O)[C@H]1N[C@@H]1C(=O)O)C(=O)N1CCOCC1.[Na]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSS P25774 9/20 0.46
REN P00797 2/20 0.39
CAPN1 P07384 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CCR1 P32246 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 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
SCHEMBL7360123 0.87 AIMP2 (0.46) AIMP2TSHRMEN1KMT2ACTSS
SCHEMBL7363128 0.85 TSHR (0.48) TSHRCYP3A4CCR1SMN1; SMN2KDM4E
SCHEMBL7357371 0.85 CYP3A4 (0.49) AIMP2TSHRMEN1KMT2ACTSS
SCHEMBL19839941 0.80 AIMP2 (0.55) AIMP2TSHRMEN1KMT2ACTSS
SCHEMBL30597934 0.80 AIMP2 (0.55) AIMP2TSHRMEN1KMT2ACTSS
SCHEMBL7363131 0.74 TSHR (0.47) TSHRCYP3A4CCR1SMN1; SMN2KDM4E
SCHEMBL7397775 0.74 GAA (0.48) TSHRMEN1KMT2ACAPN1CYP3A4
SCHEMBL22500236 0.72 CCR1 (0.62) AIMP2TSHRMEN1KMT2ACTSS
SCHEMBL19853291 0.71 CTSK (0.60) AIMP2TSHRMEN1KMT2ACTSS
SCHEMBL22591021 0.71 CTSK (0.60) AIMP2TSHRMEN1KMT2ACTSS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753003-B1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-16 EP disclosed
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed
EP-0753003-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-01-15 EP disclosed
WO-1995028416-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed