SCHEMBL16995386

SCHEMBL16995386

C=C(C)[C@@H]1CC[C@]2(C(=O)NCc3ncc[nH]3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 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
SCHEMBL9891165 0.94
SCHEMBL9107873 0.86 RORC (0.58) RORC
SCHEMBL16511986 0.86
SCHEMBL9105234 0.86
SCHEMBL9108845 0.86
SCHEMBL19967462 0.85 EGLN2 (0.61)
SCHEMBL9108534 0.85
SCHEMBL17755644 0.85
SCHEMBL18525879 0.85 GPBAR1 (0.60)
SCHEMBL9104978 0.85 GPBAR1 (0.60)

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