SCHEMBL23401503

SCHEMBL23401503

Cc1cccc(-c2c(C)c(O)nn2CC(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
NR1H2 P55055 3/20 0.35
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
FYN P06241 1/20 0.34
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL23399457 0.85 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTTRPV1
SCHEMBL23398534 0.85 TSHR (0.38) ICMTTRPM8NR1H2SLC16A3SLC16A1
SCHEMBL23402665 0.85 ICMT (0.35) ICMTTRPM8NR1H2SLC16A3SLC16A1
SCHEMBL23398945 0.85 TRPM8 (0.37) ICMTTRPM8NR1H2SLC16A3SLC16A1
SCHEMBL23400395 0.84 NPC1 (0.39) ICMTTRPM8NR1H2SLC16A3SLC16A1
SCHEMBL23401198 0.84 ICMT (0.37) ICMTTRPM8NR1H2SLC16A3SLC16A1
SCHEMBL23402035 0.84 SLC16A3 (0.37) ICMTTRPM8NR1H2SLC16A3SLC16A1
SCHEMBL23401100 0.84 NPC1 (0.46) TRPM8LMNAKMT2ATP53ALDH1A1
SCHEMBL23403007 0.83 CTSS (0.38) ICMTTRPM8NR1H2SLC16A3SLC16A1
SCHEMBL23401131 0.82 MEN1 (0.34) ICMTKMT2AALDH1A1NPC1MEN1

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