SCHEMBL17074435

SCHEMBL17074435

CC1(C)OB(C2=C(C(=O)O)CCCC2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
MAPK1 P28482 1/20 0.32
LIPG Q9Y5X9 2/20 0.31
P4HB P07237 1/20 0.31
LPL P06858 1/20 0.30
F2 P00734 1/20 0.30
F11 P03951 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL31386700 0.96 P2RX7 (0.37) P2RX7MAPK1LIPGP4HBLPL
SCHEMBL20745098 0.81 SLC6A3 (0.38) P2RX7
SCHEMBL25251651 0.78 SLC6A3 (0.38) P2RX7
SCHEMBL25315269 0.74 KDM4E (0.41) P2RX7MAPK1
SCHEMBL2752333 0.71 P2RX7 (0.42) P2RX7MAPK1LIPGLPL
SCHEMBL17074436 0.70 P2RX7 (0.31) P2RX7
SCHEMBL25425499 0.67 P2RX7 (0.42) P2RX7MAPK1LIPGLPL
SCHEMBL2753751 0.67 P2RX7 (0.39) P2RX7MAPK1LIPGLPL
SCHEMBL17024327 0.66 DHODH (0.41)
SCHEMBL217840 0.66 DHODH (0.41)

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-2367821-B1 C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2015-09-16 EP claimed