SCHEMBL3244839

SCHEMBL3244839

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(CO)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PC P11498 7/20 0.83
MAPK1 P28482 2/20 0.61
USP2 O75604 2/20 0.61
LMNA P02545 2/20 0.61
TP53 P04637 1/20 0.61
F3 P13726 4/20 0.60
CES2 O00748 1/20 0.60
CES1 P23141 1/20 0.60
XDH P47989 1/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PRKCG P05129 1/20 0.52
HIF1A Q16665 1/20 0.51
PTPN1 P18031 1/20 0.51

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
SCHEMBL13164838 1.00 PC (0.83) PCMAPK1USP2LMNATP53
SCHEMBL14554340 1.00 PC (0.83) PCMAPK1USP2LMNATP53
SCHEMBL28280706 1.00 PC (0.83) PCMAPK1USP2LMNATP53
SCHEMBL13164859 1.00 PC (0.83) PCMAPK1USP2LMNATP53
SCHEMBL15450689 1.00 PC (0.83) PCMAPK1USP2LMNATP53
SCHEMBL29785205 1.00 PC (0.83) PCMAPK1USP2LMNATP53
SCHEMBL16704685 0.95 PC (0.81) PCMAPK1USP2LMNATP53
SCHEMBL16704630 0.95 PC (0.81) PCMAPK1USP2LMNATP53
SCHEMBL15445080 0.95 PC (0.81) PCMAPK1USP2LMNATP53
SCHEMBL14555897 0.94 PC (0.74) PCMAPK1USP2LMNATP53

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
WO-2010032123-A1 TRITERPENOID COMPOUNDS AND METHODS OF USE THEREOF BIOTECHNOLOGY RESEARCH CORPORATION LIMITED (CN) 2010-03-25 WO disclosed
WO-2008138200-A1 NMDA AND MC RECEPTOR ANTAGONISTS EXHIBITING NEUROPROTECTIVE AND MEMORY ENHANCING ACTIVITIES HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2008-11-20 WO disclosed