SCHEMBL6473435

SCHEMBL6473435

C[C](C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.63
NPSR1 Q6W5P4 2/20 0.63
CA2 P00918 4/20 0.61
CA1 P00915 2/20 0.61
ALDH1A1 P00352 6/20 0.58
POLB P06746 1/20 0.58
TYR P14679 1/20 0.58
GAA P10253 3/20 0.55
MAPT P10636 3/20 0.52
ALOX15 P16050 3/20 0.52
HPN P05981 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
RECQL P46063 1/20 0.50
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 2/20 0.47

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
SCHEMBL5139536 0.81 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1CA2CA1ALDH1A1
SCHEMBL47718 0.81 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1CA2CA1ALDH1A1
SCHEMBL23973921 0.79 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1CA2CA1ALDH1A1
SCHEMBL8495448 0.78 ALOX5 (0.65) SMN1; SMN2NPSR1CA2CA1ALDH1A1
SCHEMBL10786596 0.78 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1CA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL11652321 0.78 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1CA2CA1ALDH1A1
SCHEMBL9136525 0.78 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1CA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL11652316 0.78 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1CA2CA1ALDH1A1
SCHEMBL6961291 0.76 GAA (0.62) SMN1; SMN2NPSR1CA2CA1ALDH1A1
SCHEMBL5139534 0.76 CA2 (0.56) SMN1; SMN2NPSR1CA2CA1ALDH1A1

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
WO-2005019278-A1 COLOR-STABLE POLYVINYL ACETAL, METHOD FOR THE PRODUCTION AND THE UTILIZATION THEREOF KURARAY SPECIALITIES EUROPE GMBH (DE) 2005-03-03 WO claimed