SCHEMBL7443702

SCHEMBL7443702

CC1CC(C=O)N(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
PEPD P12955 1/20 0.30

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
SCHEMBL1914601 1.00 KMT2A (0.33) KMT2AMEN1HPGDGAAKDM4E
SCHEMBL7489016 1.00 KMT2A (0.33) KMT2AMEN1HPGDGAAKDM4E
SCHEMBL25323532 0.82 ALDH1A1 (0.33) KMT2AMEN1LMNA
SCHEMBL4304347 0.82 ALDH1A1 (0.33) KMT2AMEN1LMNA
SCHEMBL9231038 0.81 ALDH1A1 (0.35) KMT2AMEN1HPGDKDM4E
SCHEMBL9231033 0.81 ALDH1A1 (0.35) KMT2AMEN1HPGDKDM4E
SCHEMBL3890608 0.78 ATM (0.41)
SCHEMBL24440243 0.77 CCR2 (0.31)
SCHEMBL13733000 0.76 SMN1; SMN2 (0.41) GAA
SCHEMBL25188344 0.76 DPP4 (0.34)

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-0918768-B1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RES LAB (KR) 2002-01-09 EP disclosed
US-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 US disclosed
EP-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 WO disclosed