SCHEMBL8638477

SCHEMBL8638477

COC(=O)C(CC1CCCCC1)OC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A3 Q01959 8/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSH P09668 1/20 0.38
CTSK P43235 2/20 0.35
EPHX1 P07099 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6484046 0.84 SELE (0.39) MEN1KMT2ACTSLCTSBCTSH
SCHEMBL9668130 0.82 SLC6A3 (0.39) MEN1KMT2ASLC6A3
SCHEMBL8177699 0.82 SLC6A3 (0.39) MEN1KMT2ASLC6A3HPGD
SCHEMBL30638081 0.82 SLC6A3 (0.39) MEN1KMT2ASLC6A3HPGD
SCHEMBL12757793 0.82 SLC6A3 (0.39) MEN1KMT2ASLC6A3HPGD
SCHEMBL3988416 0.80 CA1 (0.40) MEN1KMT2ASLC6A3
Cyclohexylamine SCHEMBL8633674 0.78 SELE (0.38) MEN1KMT2ACTSLCTSBCTSH
SCHEMBL14330745 0.77 SLC6A3 (0.36) MEN1KMT2ASLC6A3
SCHEMBL8632556 0.77 SLC6A3 (0.44) MEN1KMT2ASLC6A3HPGD
SCHEMBL2380756 0.76 SLC6A3 (0.43) MEN1KMT2ASLC6A3HPGD

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
US-5760235-A DIPEPTIDES BASED ON PROLINE OR PIPECOLIC ACID AND ARGININE ALDEHYDE GYOGYSZERKUTATO INTEZET KFT. (HU) 1998-06-02 US disclosed
EP-0629212-B1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF GYOGYSZERKUTATO INTEZET (HU) 1997-10-08 EP disclosed
EP-0629212-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF. GYOGYSZERKUTATO INTEZET (HU) 1994-12-21 EP disclosed
WO-1993018060-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF Gyógyszerkutató Intézet Kft. (HU) 1993-09-16 WO disclosed