SCHEMBL12698256

SCHEMBL12698256

C=C(C)[C@@H]1CC[C@]2(NCCN3CCNCC3)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 1/20 0.62

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
SCHEMBL14672971 1.00 UGT1A1 (0.62) UGT1A1
SCHEMBL19488009 0.94 UGT1A1 (0.59) UGT1A1
SCHEMBL19488439 0.94 UGT1A1 (0.59) UGT1A1
SCHEMBL14672888 0.94 UGT1A1 (0.59) UGT1A1
SCHEMBL14682778 0.93
SCHEMBL12697936 0.93 UGT1A1 (0.65) UGT1A1
SCHEMBL19487944 0.93 UGT1A1 (0.65) UGT1A1
Hydrochloric Acid SCHEMBL14673151 0.93 UGT1A1 (0.58) UGT1A1
SCHEMBL19487086 0.93
SCHEMBL14673391 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2670765-B1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 4) LTD (GB) 2017-10-18 EP disclosed
WO-2012106190-A1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-09 WO disclosed