SCHEMBL23399154

SCHEMBL23399154

CCCCc1nn(-c2ccc(C)c(C)c2)c(O)c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 3/20 0.35
NPC1 O15118 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
GAA P10253 1/20 0.33
GCGR P47871 1/20 0.33
TP53 P04637 2/20 0.33
STAT1 P42224 1/20 0.33
DDX3X O00571 1/20 0.32

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
SCHEMBL23399134 0.92 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL23402069 0.87 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL23400192 0.86 GCGR (0.37) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL23401062 0.85 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL23402524 0.84 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL23401767 0.84 ALDH1A1 (0.38) ALDH1A1MAPTLMNANPC1SMN1; SMN2
SCHEMBL23401016 0.83 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL23400512 0.83 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL23400211 0.83 MAPT (0.37) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL23401024 0.82 PDE4A (0.41) ALDH1A1LMNACYP1A2CYP2C19GAA

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