SCHEMBL6130871

SCHEMBL6130871

CCCC(F)OC(=O)Nc1cccc(C(CP(=O)(O)CCCCc2ccccc2)C(=O)OC)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.41
S1PR1 P21453 4/20 0.40
S1PR4 O95977 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR5 Q9H228 2/20 0.40
LMNA P02545 1/20 0.39
PPARG P37231 1/20 0.39
KMT2A Q03164 1/20 0.38
MMP2 P08253 3/20 0.38
CETP P11597 1/20 0.36
PLK1 P53350 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2350331 0.75 KDM4E (0.39) S1PR1S1PR4S1PR3S1PR5LMNA
SCHEMBL6130895 0.74 KDM4E (0.43) LMNAPPARGKMT2ANPC1RAB9A
SCHEMBL2350428 0.73 LMNA (0.43) MMP3S1PR1S1PR4S1PR3S1PR5
SCHEMBL2355128 0.70 LMNA (0.44) MMP3S1PR1S1PR4S1PR3S1PR5
SCHEMBL23752186 0.70 LMNA (0.44) MMP3S1PR1S1PR4S1PR3S1PR5
SCHEMBL6130896 0.70 PPARG (0.41) PPARG
SCHEMBL2349886 0.69 LMNA (0.37) MMP3S1PR1S1PR4S1PR3S1PR5
SCHEMBL5053052 0.68 TSHR (0.55) S1PR1S1PR4S1PR3CETP
SCHEMBL2348810 0.67 KDM4E (0.41) S1PR1S1PR4S1PR3S1PR5CETP
SCHEMBL2353883 0.67 CPN1 (0.50) S1PR1S1PR4S1PR3CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497300-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS Schering Aktiengesellschaft (DE) 2005-01-19 EP disclosed
WO-2003080631-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO disclosed