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Sugi Predict / Compounds / SCHEMBL1040567

SCHEMBL1040567

SCHEMBL1040567

COCCCN1CCOc2ccc(CO[C@H]3C(C(C)(C)C)N(C(=O)O)C[C@@H](OCC[C@H](C)O[N+](=O)[O-])[C@@H]3c3ccc(COCCOC)cc3)cc21

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.31
▸ RORC P51449 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
SCHEMBL1040565 1.00 REN (0.31) RENRORC
SCHEMBL1040069 0.90 RORC (0.32) RENRORC
SCHEMBL1040451 0.90 REN (0.33) RENRORC
SCHEMBL1040452 0.90 REN (0.33) RENRORC
SCHEMBL1036312 0.90 REN (0.31) RENRORC
SCHEMBL1036313 0.90 REN (0.31) RENRORC
SCHEMBL3943934 0.88 REN (0.34) RENRORC
SCHEMBL3942604 0.88 REN (0.34) RENRORC
SCHEMBL3942602 0.88 REN (0.34) RENRORC
SCHEMBL1040564 0.85 REN (0.32) RENRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 — — EP disclosed