SCHEMBL23402106

SCHEMBL23402106

CCCc1c(C)nn(C(C)(C)C)c1O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
HPGD P15428 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
SCHEMBL23399938 0.91 TSHR (0.36) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23400973 0.85 TSHR (0.35) TSHRMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL23402281 0.83 KDM4E (0.30) TSHRKMT2A
SCHEMBL22434959 0.82 TSHR (0.36) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23400825 0.81
SCHEMBL23399306 0.80
SCHEMBL23401371 0.79 NPC1 (0.31) HTTHPGD
SCHEMBL23402838 0.79 HPGD (0.34) TSHRSMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL23402144 0.77 GCGR (0.33)
SCHEMBL23400830 0.76 USP2 (0.31) TSHR

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed