SCHEMBL29980212

SCHEMBL29980212

C=CC(=O)NCC(C)CCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.59
ZDHHC2 Q9UIJ5 2/20 0.59
ACE2 Q9BYF1 1/20 0.46
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ALDH1A1 P00352 2/20 0.40
FAAH O00519 2/20 0.40
EPHX1 P07099 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 2/20 0.40
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL6118081 0.86 ZDHHC20 (0.62) ZDHHC20ZDHHC2CNR1CNR2LCK
SCHEMBL17183770 0.86 ZDHHC20 (0.47) ZDHHC20ZDHHC2CNR1CNR2ALDH1A1
SCHEMBL10820699 0.85 ZDHHC20 (0.67) ZDHHC20ZDHHC2ACE2CNR1ALDH1A1
SCHEMBL27257267 0.83 ZDHHC20 (0.74) ZDHHC20ZDHHC2ACE2ALDH1A1EPHX1
SCHEMBL2333570 0.81 ZDHHC20 (0.56) ZDHHC20ZDHHC2CNR1CNR2LCK
SCHEMBL1592016 0.81 ZDHHC20 (0.56) ZDHHC20ZDHHC2CNR1CNR2LCK
SCHEMBL28259338 0.80 ZDHHC20 (0.54) ZDHHC20ZDHHC2CNR1CNR2ALDH1A1
SCHEMBL18755013 0.80 TSHR (0.54) ZDHHC20ZDHHC2CNR1CNR2PPARD
SCHEMBL3723458 0.79 ACE2 (0.56) ZDHHC20ZDHHC2ACE2LCKPPARD
SCHEMBL11397604 0.79 ACE2 (0.52) ZDHHC20ZDHHC2ACE2LCKPPARD

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
CN-113201100-B In-situ demulsification functional associated polymer oil-displacing agent and preparation method thereof 中海油能源发展股份有限公司 2022-11-04 CN disclosed