SCHEMBL31290840

SCHEMBL31290840

CCCCc1ccc(OP(O)O)c(CCCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 3/20 0.45
APAF1 O14727 2/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAD52 P43351 2/20 0.44
NPC1 O15118 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SKP2 Q13309 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2715741 1.00 HTT (0.45) HTTMAPTMAPK1APAF1THRB
SCHEMBL28354766 0.94 HTT (0.49) HTTMAPTMAPK1APAF1THRB
SCHEMBL9239878 0.94 HTT (0.49) HTTMAPTMAPK1APAF1THRB
Tromethamine SCHEMBL21723938 0.89 S1PR1 (0.45)
SCHEMBL29366175 0.88 HTT (0.50) HTTMAPTMAPK1APAF1THRB
SCHEMBL125443 0.88 HTT (0.50) HTTMAPTMAPK1APAF1THRB
SCHEMBL28058768 0.88 HTT (0.43) HTTMAPTMAPK1APAF1THRB
SCHEMBL27838083 0.87 PPARG (0.41) HTTMAPK1NPC1NPSR1ALDH1A1
SCHEMBL8019592 0.86 PPARA (0.46) HTTMAPTMAPK1APAF1THRB
SCHEMBL8019596 0.86 PPARA (0.46) HTTMAPTMAPK1APAF1THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4527902-A1 HOT-MELT PRESSURE SENSITIVE ADHESIVE COMPOSITION Bostik SA (FR) 2025-03-26 EP disclosed
CN-118974139-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2024-11-15 CN disclosed