SCHEMBL31365247

SCHEMBL31365247

O=C(O)C=C(C1CCCC1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
SLC6A1 P30531 2/20 0.33
SLC6A11 P48066 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
HPGD P15428 1/20 0.32
HSD11B1 P28845 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
Acrylic Acid SCHEMBL30579000 0.91 LMNA (0.43) CES2CES1HDAC8HDAC6TSHR
SCHEMBL28579753 0.89 ACE (0.32) TSHRLMNA
Acrylic Acid Methyl Ester SCHEMBL29822422 0.80 HCAR2 (0.34) SMN1; SMN2
SCHEMBL8209830 0.77 CES2 (0.48) CES2CES1HDAC8HDAC6TSHR
SCHEMBL23493279 0.75 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL13468227 0.75 CES2 (0.40) CES2CES1HDAC8HDAC6TSHR
SCHEMBL165512 0.75 CES2 (0.40) CES2CES1HDAC8HDAC6TSHR
SCHEMBL20954657 0.75 CES2 (0.40) CES2CES1HDAC8HDAC6TSHR
SCHEMBL164140 0.75 CES2 (0.40) CES2CES1HDAC8HDAC6TSHR
SCHEMBL164141 0.75 CES2 (0.40) CES2CES1HDAC8HDAC6TSHR

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-4748210-A1 SOLAR CELL COMPRISING A POLYMER LAYER COMPRISING ACRYLATES Avantama AG (CH) 2026-05-27 EP disclosed
WO-2025021278-A1 SOLAR CELL COMPRISING A POLYMER LAYER COMPRISING ACRYLATES AVANTAMA AG (CH) 2025-01-30 WO disclosed