SCHEMBL2236027

SCHEMBL2236027

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

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 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
SCHEMBL613985 1.00 SREBF2 (0.36) SREBF2
SCHEMBL615587 0.95 SREBF2 (0.39) SREBF2
SCHEMBL2237564 0.95 SREBF2 (0.39) SREBF2
SCHEMBL614167 0.85 SREBF2 (0.36) SREBF2
SCHEMBL613984 0.84 P2RY12 (0.33) SREBF2
SCHEMBL2234474 0.80 SREBF2 (0.38) SREBF2
SCHEMBL616659 0.80 SREBF2 (0.38) SREBF2
SCHEMBL616979 0.80 SREBF2 (0.41) SREBF2
SCHEMBL615586 0.79 AAK1 (0.34) SREBF2
Hydrochloric Acid SCHEMBL30194190 0.79 AAK1 (0.34) 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