SCHEMBL28339696

SCHEMBL28339696

CN(CCCC(=O)O)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SLC22A6 Q4U2R8 2/20 0.43
TSHR P16473 5/20 0.42
HDAC11 Q96DB2 4/20 0.42
KMT2A Q03164 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
HDAC3 O15379 1/20 0.42
GABBR2 O75899 1/20 0.42
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRR1 P24046 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRR2 P28476 1/20 0.42
SLC6A1 P30531 1/20 0.42
GABRA5 P31644 1/20 0.42

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
SCHEMBL7616732 0.86 PHF8 (0.43) LMNAHDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL28825415 0.84 PHF8 (0.41) LMNAKMT2AHDAC3HDAC1HDAC2
SCHEMBL4099423 0.83 NOS3 (0.58) LMNASLC22A6TSHRHDAC11KMT2A
SCHEMBL18125959 0.81 LMNA (0.48) LMNASLC22A6TSHRHDAC11KMT2A
SCHEMBL7328047 0.79 LMNA (0.46) LMNASLC22A6TSHRHDAC11KMT2A
SCHEMBL10903614 0.78 LMNA (0.40) LMNASLC22A6TSHRHDAC11KMT2A
SCHEMBL8000683 0.77 LMNA (0.43) LMNASLC22A6TSHRHDAC11KMT2A
SCHEMBL7587252 0.77 LMNA (0.35) LMNATSHRCYP1A2BLMPMP22
SCHEMBL4092954 0.77 NOS3 (0.56) LMNASLC22A6TSHREPHX2NFKB1
SCHEMBL23477491 0.76

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
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN claimed
US-20230172981-A1 METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS SEATTLE CHILDRENS HOSPITAL DBA SEATTLE CHILDRENS RES INST (US) 2023-06-08 US disclosed