SCHEMBL23401830

SCHEMBL23401830

CCCc1c(O)cnn1CC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
POLB P06746 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CYP11B2 P19099 1/20 0.30
XDH P47989 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL23401056 0.89 NPC1 (0.37) HTTPOLBCNR1GAAKMT2A
SCHEMBL23403175 0.86 POLB (0.40) POLB
SCHEMBL23400969 0.83 HTT (0.38) HTTPOLBCYP11B2XDHGAA
SCHEMBL23399858 0.83 ESR1 (0.35) HTTPOLBGAA
SCHEMBL23403021 0.82 MAPK14 (0.41)
SCHEMBL18464458 0.79 HTT (0.38) HTTPOLBCYP11B2XDHGAA
SCHEMBL23400358 0.78 TSHR (0.46) HTTGAAKMT2A
SCHEMBL23398628 0.78 CYP11B2 (0.33) CNR1CNR2CYP11B2KMT2A
SCHEMBL23403307 0.77 HTT (0.34) HTTKMT2A
SCHEMBL23399780 0.76 NPC1 (0.36) HTTPOLBGAA

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-2022223336-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2022-10-27 WO disclosed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed