SCHEMBL23401693

SCHEMBL23401693

Cc1cccc(-c2cc(O)nn2CC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.43
SLC16A3 O15427 2/20 0.42
SLC16A1 P53985 2/20 0.42
ICMT O60725 1/20 0.40
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
SLC5A1 P13866 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
MGLL Q99685 1/20 0.36
HDAC1 Q13547 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
TLR8 Q9NR97 1/20 0.36
JAK2 O60674 1/20 0.36
FYN P06241 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL23398783 0.85 NR1H2 (0.47) NR1H2SLC16A3SLC16A1SLC5A1TRPV1
SCHEMBL23400794 0.84 NPC1 (0.41) SLC16A3SLC16A1LMNAKMT2ACYP11B1
SCHEMBL23399351 0.84 NR1H2 (0.43) NR1H2SLC16A3SLC16A1ICMTKMT2A
SCHEMBL23402425 0.81 MEN1 (0.42) SLC16A3SLC16A1LMNAKMT2ASLC5A1
SCHEMBL23401468 0.79 TP53 (0.43) ICMTKMT2ASLC5A1CYP11B1CYP11B2
SCHEMBL23403570 0.78 SRC (0.43) KMT2ATLR8JAK2RPA1
SCHEMBL23400239 0.77 NPC1 (0.43) NR1H2ICMTLMNAKMT2AHDAC6
SCHEMBL23400395 0.77 NPC1 (0.39) NR1H2SLC16A3SLC16A1ICMTLMNA
SCHEMBL17943746 0.76 NR1H2 (0.58) NR1H2SLC16A3SLC16A1ICMTTRPV1
SCHEMBL23400178 0.75 HPGD (0.35) NR1H2SLC16A3SLC16A1LMNAKMT2A

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