SCHEMBL8654010

SCHEMBL8654010

C=CCNOC(=O)/C=C/C(=O)ONCC=C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCAR2 Q8TDS4 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL8654017 0.92 HCAR2 (0.45) MAPTCACNA1BAPBA1TSHRSMN1; SMN2
SCHEMBL18649630 0.92 HCAR2 (0.45) MAPTCACNA1BAPBA1TSHRSMN1; SMN2
SCHEMBL466122 0.86
SCHEMBL28515956 0.84 TSHR (0.37) MAPTTSHRSMN1; SMN2KMT2AALDH1A1
SCHEMBL1489998 0.80 TSHR (0.39) MAPTTSHRSMN1; SMN2KMT2AALDH1A1
SCHEMBL1489999 0.78
SCHEMBL3468914 0.78
SCHEMBL1154368 0.76
SCHEMBL28370295 0.76
SCHEMBL5377002 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
JP-10182559-A None JP disclosed
JP-H10182559-A PRODUCTION OF DIALKYL OXALACETATE AMERICAN CYANAMID CO 1998-07-07 JP disclosed