SCHEMBL23399343

SCHEMBL23399343

Cn1nc(C(C)(C)C)c(O)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PTGS2 P35354 2/20 0.37
CYP2C19 P33261 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
SCHEMBL23402907 0.85 USP7 (0.37) RAB9AHTTPTGS2SMN1; SMN2MAPK14
SCHEMBL23399578 0.83 CNR1 (0.40) NPC1RAB9ALMNA
SCHEMBL23400144 0.81 HTR2A (0.44) POLBNR1H2NR1H3NPC1RAB9A
SCHEMBL23402485 0.81 MEN1 (0.43) NR1H3KMT2AMAPTMEN1MAPK1
SCHEMBL24417641 0.81 POLB (0.41) POLBNR1H2NR1H3NPC1RAB9A
SCHEMBL7755885 0.80 MAPT (0.49) POLBNR1H2NR1H3NPC1RAB9A
SCHEMBL23400570 0.80 PTGS2 (0.53) NPC1RAB9ACA1CA2KMT2A
SCHEMBL23398717 0.80 HTR2A (0.44) POLBNR1H2NR1H3CA1CA2
SCHEMBL23400695 0.79 TDP2 (0.36) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL23399627 0.79 HTR2A (0.43) POLBKMT2AHSD17B10PTGS2CYP2C19

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