SCHEMBL19326734

SCHEMBL19326734

CC1(C)OB(C2=CC3(C2)CC(C(=O)O)(C(=O)O)C3)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ P4HB P07237 1/20 0.31
▸ LPL P06858 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ F11 P03951 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31

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
SCHEMBL15166835 0.80 P2RX7 (0.33) P2RX7MAPK1
SCHEMBL15185767 0.78 P2RX7 (0.31) P2RX7MAPK1LPLLIPG
SCHEMBL18929485 0.73 P2RX7 (0.37) P2RX7MAPK1P4HBLPLLIPG
SCHEMBL18696943 0.73 P2RX7 (0.37) P2RX7MAPK1P4HBLPLLIPG
SCHEMBL25136361 0.72 MAPK1 (0.46) P2RX7MAPK1LPLLIPG
SCHEMBL18095998 0.72 P2RX7 (0.48) P2RX7MAPK1LPLLIPG
SCHEMBL31570487 0.70 P2RX7 (0.47) P2RX7MAPK1LPLLIPG
SCHEMBL30708588 0.70 P2RX7 (0.43) P2RX7MAPK1LPLLIPG
SCHEMBL15166628 0.70 P2RX7 (0.34) P2RX7MAPK1
SCHEMBL30965862 0.67 P2RX7 (0.47) P2RX7MAPK1LPLLIPG

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-2814834-B1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-09-13 — — EP disclosed
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