SCHEMBL570955

SCHEMBL570955

COCC(C(N)=O)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
CYP2C9 P11712 2/20 0.39
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C8 P10632 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA1A P35348 1/20 0.39
PPARG P37231 1/20 0.39
HTR2B P41595 1/20 0.39
PPARA Q07869 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39

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
SCHEMBL29047063 0.90 TSHR (0.47) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL7959271 0.88 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL1688319 0.88 ALDH1A1 (0.45) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL27536529 0.86 ALDH1A1 (0.43) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL23628935 0.84 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL15375329 0.83 PTGDR2 (0.46) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL15823194 0.83 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL7970653 0.81 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL12317825 0.80 TSHR (0.43) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL27824045 0.80 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1TSHRSMN1; SMN2

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-2600718-A2 ACTIVE COMPOUNDS COMBINATIONS COMPRISING PROTHIOCONAZOLE AND FLUXAPYROXAD Bayer Intellectual Property GmbH (DE) 2013-06-12 EP disclosed
WO-2012016972-A2 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2012-02-09 WO disclosed