SCHEMBL16995341

SCHEMBL16995341

C=C(C)[C@@H]1CC[C@]2(C(=O)NCCN3CCC(F)(F)CC3)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC=C(c6ccc(C(=O)O)c(F)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.53

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
SCHEMBL9106287 1.00 RORC (0.53) RORC
SCHEMBL9107361 0.93 UGT1A1 (0.57) RORC
SCHEMBL9107372 0.93 RORC (0.52) RORC
SCHEMBL9108611 0.91
SCHEMBL9892744 0.90 NR1H4 (0.44)
SCHEMBL9106071 0.89 UGT1A1 (0.55)
SCHEMBL9106090 0.89
SCHEMBL9108732 0.88 RORC (0.55) RORC
SCHEMBL9108257 0.88 RORC (0.53) RORC
SCHEMBL16510698 0.86 GPBAR1 (0.57)

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