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SCHEMBL16995404

SCHEMBL16995404

CC(C)[C@@H]1CC[C@]2(C(=O)NCCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[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 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 8/20 0.47
▸ GPBAR1 Q8TDU6 1/20 0.43

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
SCHEMBL9106983 0.89 NR1H4 (0.50) NR1H4
SCHEMBL9108732 0.89 RORC (0.55) —
SCHEMBL9892744 0.89 NR1H4 (0.44) NR1H4
SCHEMBL9891318 0.88 NR1H4 (0.49) NR1H4
SCHEMBL9892763 0.87 UGT1A1 (0.47) NR1H4
SCHEMBL9892764 0.86 UGT1A1 (0.44) NR1H4
SCHEMBL9892728 0.85 NR1H4 (0.48) NR1H4GPBAR1
SCHEMBL9108910 0.85 NR1H4 (0.53) NR1H4
SCHEMBL9891317 0.85 NR1H4 (0.48) NR1H4GPBAR1
SCHEMBL16995388 0.85 NR1H4 (0.49) 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