SCHEMBL7500638

SCHEMBL7500638

CCC(NC1CC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.36
EPHX1 P07099 1/20 0.34
EPHX2 P34913 3/20 0.34
SLC6A4 P31645 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
METAP1 P53582 1/20 0.33
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL16439939 0.98 L3MBTL1 (0.42) L3MBTL1LMNAEPHX1EPHX2SLC6A4
SCHEMBL12482729 0.92 LMNA (0.41) L3MBTL1LMNAEPHX1EPHX2SMN1; SMN2
SCHEMBL10319950 0.92 LMNA (0.44) L3MBTL1LMNAEPHX1EPHX2SMN1; SMN2
SCHEMBL10321971 0.92 LMNA (0.44) L3MBTL1LMNAEPHX1EPHX2SMN1; SMN2
SCHEMBL1288426 0.92 LMNA (0.44) L3MBTL1LMNAEPHX1EPHX2SMN1; SMN2
SCHEMBL16439941 0.90 LMNA (0.43) L3MBTL1LMNAEPHX1EPHX2SMN1; SMN2
SCHEMBL14605829 0.90 EPHX1 (0.46) L3MBTL1LMNAEPHX1EPHX2SMN1; SMN2
SCHEMBL31294147 0.90 EPHX1 (0.46) L3MBTL1LMNAEPHX1EPHX2SMN1; SMN2
SCHEMBL16439931 0.90 LMNA (0.40) L3MBTL1LMNAEPHX1EPHX2SMN1; SMN2
SCHEMBL4988968 0.90 EPHX1 (0.46) L3MBTL1LMNAEPHX1EPHX2SMN1; SMN2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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