SCHEMBL22562956

SCHEMBL22562956

O=CC/C=C\C(=O)NCCN1CCCC1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
TSHR P16473 2/20 0.52
ITGB2 P05107 5/20 0.44
ICAM1 P05362 5/20 0.44
ITGAL P20701 5/20 0.44
NAMPT P43490 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 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
SCHEMBL19146542 0.85 KMT2A (0.58) KMT2ATSHRITGB2ICAM1ITGAL
SCHEMBL19146023 0.83 KMT2A (0.57) KMT2ATSHRITGB2ICAM1ITGAL
SCHEMBL19146563 0.80 KMT2A (0.52) KMT2ATSHRITGB2ICAM1ITGAL
SCHEMBL8618112 0.79 KMT2A (0.61) KMT2ATSHRNAMPTRAB9ANPC1
SCHEMBL19146009 0.78 KMT2A (0.58) KMT2ATSHRITGB2ICAM1ITGAL
SCHEMBL19146399 0.78 KMT2A (0.51) KMT2ATSHRITGB2ICAM1ITGAL
SCHEMBL28877334 0.78 TSHR (0.62) KMT2ATSHRITGB2ICAM1ITGAL
SCHEMBL22348983 0.77 KMT2A (0.56) KMT2ATSHRITGB2ICAM1ITGAL
SCHEMBL19146650 0.76 KMT2A (0.52) KMT2ATSHRITGB2ICAM1ITGAL
SCHEMBL26972367 0.76 KMT2A (0.52) KMT2ATSHRITGB2ICAM1ITGAL

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
EP-3377546-B1 PROCESS FOR THE PREPARATION OF HYDROXYETHYLPYRROLIDONE METHACRYLATE/GLYCIDYL METHACRYLATE COPOLYMERS ISP INVESTMENTS LLC (US) 2020-10-21 EP disclosed