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Sugi Predict / Compounds / SCHEMBL16995378

SCHEMBL16995378

SCHEMBL16995378

COCCNC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC=C(c5ccc(C(=O)O)cc5)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.52

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
SCHEMBL9891360 0.92 NR1H4 (0.56) NR1H4
SCHEMBL9106983 0.91 NR1H4 (0.50) NR1H4
SCHEMBL9892733 0.90 NR1H4 (0.53) NR1H4
SCHEMBL16995370 0.90 NR1H4 (0.49) NR1H4
SCHEMBL9106965 0.90 NR1H4 (0.49) NR1H4
SCHEMBL16512006 0.90 NR1H4 (0.49) NR1H4
SCHEMBL16512032 0.90 NR1H4 (0.49) NR1H4
SCHEMBL16995388 0.90 NR1H4 (0.49) NR1H4
SCHEMBL9892746 0.90 NR1H4 (0.52) NR1H4
SCHEMBL9891330 0.89 NR1H4 (0.51) NR1H4

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-2576586-B1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 — — EP disclosed