SCHEMBL2669893

SCHEMBL2669893

CCCCCC(C)C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)c1oc2ccc(OC3CCOCC3)cc2c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.35
PRSS2 P07478 4/20 0.35
F7 P08709 4/20 0.35
F3 P13726 4/20 0.35
PRSS3 P35030 4/20 0.35
F2 P00734 3/20 0.35
F10 P00742 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PDE4D Q08499 5/20 0.33
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
P2RY12 Q9H244 1/20 0.33
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL2669954 0.93 L3MBTL1 (0.34) L3MBTL1KMT2ANPC1RAB9A
SCHEMBL2669903 0.92 L3MBTL1 (0.34) L3MBTL1KMT2ANPC1RAB9A
SCHEMBL718399 0.92 PRSS1 (0.37) PRSS1PRSS2F7F3PRSS3
SCHEMBL720836 0.86 PRSS1 (0.37) PRSS1PRSS2F7F3PRSS3
SCHEMBL2669952 0.86 RAB9A (0.41) P2RY12NPC1RAB9A
SCHEMBL2669958 0.85 CASP3 (0.39) L3MBTL1KMT2ANPC1RAB9A
SCHEMBL2669939 0.85 NPC1 (0.39) PDE4ANPC1RAB9A
SCHEMBL2669842 0.85 NPC1 (0.33) PDE4AKMT2ANPC1RAB9A
SCHEMBL2669898 0.84 MAPT (0.38) L3MBTL1KMT2ANPC1RAB9A
SCHEMBL721354 0.84 KMT2A (0.36) L3MBTL1KMT2ANPC1RAB9A

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-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed
WO-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 WO disclosed