SCHEMBL2237564

SCHEMBL2237564

C=CC[C@@H](C(=O)OCC)N(C(=O)OC(C)(C)C)c1cc(NC(=O)OC)ccc1-c1ccnc(CCC=CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 1/20 0.39
AAK1 Q2M2I8 4/20 0.31
SYK P43405 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
SCHEMBL615587 1.00 SREBF2 (0.39) SREBF2AAK1SYK
SCHEMBL2236027 0.95 SREBF2 (0.36) SREBF2
SCHEMBL613985 0.95 SREBF2 (0.36) SREBF2
SCHEMBL616659 0.84 SREBF2 (0.38) SREBF2AAK1
SCHEMBL2234474 0.84 SREBF2 (0.38) SREBF2AAK1
SCHEMBL615586 0.83 AAK1 (0.34) SREBF2AAK1SYK
Hydrochloric Acid SCHEMBL30194190 0.83 AAK1 (0.34) SREBF2AAK1SYK
SCHEMBL2236917 0.80 SREBF2 (0.38) SREBF2AAK1
SCHEMBL614167 0.80 SREBF2 (0.36) SREBF2
SCHEMBL613984 0.79 P2RY12 (0.33) SREBF2

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-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed