SCHEMBL20010552

SCHEMBL20010552

CC1(C)OB(C2=CCC(O)(O)CC2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.53
MAPK1 P28482 1/20 0.50
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL1701389 0.81 P2RX7 (0.56) P2RX7MAPK1LPLLIPG
SCHEMBL253582 0.81 P2RX7 (0.56) P2RX7MAPK1LPLLIPG
SCHEMBL4857793 0.79 P2RX7 (0.58) P2RX7MAPK1LPLLIPG
SCHEMBL12381903 0.79 P2RX7 (0.58) P2RX7MAPK1LPLLIPG
SCHEMBL15181878 0.79 P2RX7 (0.53) P2RX7MAPK1LPLLIPG
SCHEMBL662074 0.79 P2RX7 (0.53) P2RX7MAPK1LPLLIPG
SCHEMBL15181812 0.79 P2RX7 (0.53) P2RX7MAPK1LPLLIPG
SCHEMBL31116010 0.78 P2RX7 (0.49) P2RX7MAPK1
SCHEMBL23873562 0.77 P2RX7 (0.51) P2RX7MAPK1
SCHEMBL4859383 0.77 P2RX7 (0.56) P2RX7MAPK1

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
WO-2018054365-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2018-03-29 WO disclosed