SCHEMBL9344878

SCHEMBL9344878

C=CCONC(=O)C(=O)NOCCC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR2 P34972 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL9344941 0.83 TP53 (0.38) ALDH1A1MAPTTP53KMT2ACNR2
SCHEMBL1100509 0.76 MAPT (0.35) TSHRALDH1A1MAPTCACNA1BAPBA1
SCHEMBL9442160 0.75 MAPT (0.37) TSHRALDH1A1MAPTCACNA1BAPBA1
SCHEMBL7564252 0.74 MAPT (0.34) TSHRALDH1A1MAPTCACNA1BAPBA1
SCHEMBL176017 0.74
SCHEMBL11257001 0.74 TSHR (0.38) TSHRALDH1A1TP53KMT2ACNR2
SCHEMBL27637341 0.73 MAPT (0.37) TSHRALDH1A1MAPTCACNA1BAPBA1
SCHEMBL873545 0.73
SCHEMBL27654151 0.72 CNR2 (0.33) ALDH1A1TP53KMT2ACNR2TRPV1
SCHEMBL25395565 0.72 CNR2 (0.46) TSHRALDH1A1HPGDCNR2TRPV1

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
EP-0469423-B1 Oxalyl-bishydroxamic acid derivatives, their preparation and plant growth regulating agents containing them BASF AG (DE) 1994-06-15 EP disclosed
EP-0469423-A1 Oxalyl-bishydroxamic acid derivatives, their preparation and plant growth regulating agents containing them BASF Aktiengesellschaft (DE) 1992-02-05 EP disclosed