SCHEMBL23403113

SCHEMBL23403113

CCCCn1nc(C)c(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.39
NR1H3 Q13133 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
ESR1 P03372 2/20 0.35
MPO P05164 2/20 0.33
SLC9A1 P19634 1/20 0.33
APAF1 O14727 1/20 0.33
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL19156189 0.92 TLR8 (0.36) ALDH1A1ADORA2AADORA2BMPOSLC9A1
SCHEMBL13741415 0.88 ADORA2A (0.46) TYRALDH1A1POLBADORA2AADORA2B
SCHEMBL23402513 0.81 NR1H3 (0.35) TYRNR1H3ALDH1A1POLBKMT2A
SCHEMBL23399342 0.81 HPGD (0.36) TYRNR1H3ALDH1A1POLBKMT2A
SCHEMBL23403334 0.81 GAA (0.39) TYRNR1H3ALDH1A1POLBKMT2A
SCHEMBL23399994 0.79 NR1H3 (0.34) TYRNR1H3ALDH1A1POLBKMT2A
SCHEMBL23402030 0.79 NR1H3 (0.34) TYRNR1H3ALDH1A1POLBKMT2A
SCHEMBL23401662 0.79 NR1H3 (0.34) TYRNR1H3ALDH1A1POLBKMT2A
SCHEMBL13696434 0.79 ALDH1A1 (0.47) NR1H3ALDH1A1POLBKMT2AADORA2A
SCHEMBL12268071 0.79 ADORA2A (0.45) ALDH1A1KMT2AADORA2AADORA2BAPAF1

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