SCHEMBL23909396

SCHEMBL23909396

O=C(O)CCCCCC1CCCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.60
ITGA2B P08514 6/20 0.60
KDM5A P29375 4/20 0.51
PHF8 Q9UPP1 4/20 0.51
KDM2A Q9Y2K7 4/20 0.51
KDM4C Q9H3R0 3/20 0.51
KDM4A O75164 1/20 0.50
KDM7A Q6ZMT4 1/20 0.46
NAAA Q02083 1/20 0.44
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
F2R P25116 1/20 0.41
SLC6A1 P30531 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
SLC6A12 P48065 2/20 0.41

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
SCHEMBL5501220 0.93 ITGB3 (0.59) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL17440475 0.93 ITGB3 (0.67) ITGB3ITGA2BKDM5APHF8KDM2A
Hydrochloric Acid SCHEMBL29119874 0.91 ITGB3 (0.65) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL5751261 0.91 ITGB3 (0.69) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL5495308 0.86 ITGB3 (0.50) ITGB3ITGA2BF2RSLC6A1GABRA5
SCHEMBL381083 0.86 ITGB3 (0.66) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL26547239 0.85 NAAA (0.54) ITGB3ITGA2BKDM5APHF8KDM2A
Hydrochloric Acid SCHEMBL1532653 0.84 ITGB3 (0.64) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL3317369 0.84 KDM5A (0.67) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL1499918 0.84 KDM5A (0.67) ITGB3ITGA2BKDM5APHF8KDM2A

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
US-20210317407-A1 METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS Seattle Children's Hospital (dba Seattle Children's Research Institute) 2021-10-14 US disclosed