SCHEMBL23401950

SCHEMBL23401950

Cc1ccc(-c2c(O)nn(C(C)(C)C)c2C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
SRC P12931 2/20 0.37
KDR P35968 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PLK4 O00444 1/20 0.37
RIPK2 O43353 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
INSR P06213 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
YES1 P07947 1/20 0.37

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
SCHEMBL23401752 0.85 SMN1; SMN2 (0.47) HPGDLMNASRCKDM4EABL1
SCHEMBL23402604 0.83 ALDH1A1 (0.38) HPGDALDH1A1LMNAHTTSRC
SCHEMBL23402221 0.82 HPGD (0.38) HPGDALDH1A1LMNAHTTSRC
SCHEMBL23402939 0.82 ALDH1A1 (0.33) HPGDALDH1A1LMNAKDM4EMAPK14
SCHEMBL23399107 0.79 SMN1; SMN2 (0.40) ALDH1A1LMNASRCKDRMAPK14
SCHEMBL23403636 0.78 PTGS2 (0.34) ALDH1A1LMNAHTTKDM4ESMN1; SMN2
SCHEMBL23398454 0.78 HTR2A (0.35) HPGDALDH1A1HTTKDM4ERET
SCHEMBL23399560 0.78 GRIA2 (0.39) HPGDALDH1A1LMNAHTTSRC
SCHEMBL23399667 0.78 HPGD (0.35) HPGDALDH1A1LMNAHTTSRC
SCHEMBL23398932 0.77 RIPK2 (0.46) HPGDALDH1A1LMNAHTTSRC

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