SCHEMBL31048770

SCHEMBL31048770

COCOc1cc2c(c(B3OC(C)(C)C(C)(C)O3)c1)CCCC2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 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
SCHEMBL30231977 0.83 NQO1 (0.30)
SCHEMBL34461307 0.81
SCHEMBL34461171 0.81 SIGMAR1 (0.32)
SCHEMBL30231591 0.81
SCHEMBL22229652 0.81 P2RX7 (0.31) P2RX7
SCHEMBL34461127 0.80
SCHEMBL31108405 0.80
SCHEMBL25819253 0.79 PTPN1 (0.31)
SCHEMBL31155180 0.79
SCHEMBL31299344 0.79 PTPN1 (0.32)

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-2024167922-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-08-15 WO disclosed