SCHEMBL9694877

SCHEMBL9694877

CC(C)C(=O)Oc1cc(C(=O)CN(C)C(=O)OCc2ccccc2)ccc1OS(=O)(=O)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
EGFR P00533 1/20 0.36
ALOX15 P16050 1/20 0.36
CACNA1H O95180 4/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
REN P00797 1/20 0.35

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
SCHEMBL9694883 0.91 ALOX15 (0.41) ALOX15CACNA1HCHRM2CHRM1F13A1
SCHEMBL9696028 0.84 EGFR (0.42) HPGDNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL9696975 0.84 ADRB2 (0.41) HPGDNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL9696041 0.83 MAPT (0.41) HPGDNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL9696537 0.83 MAPT (0.41) HPGDNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL9696523 0.83 MAPT (0.42) HPGDNPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL9696017 0.82 CA1 (0.39) ALOX15CACNA1HCHRM2CHRM1ALDH1A1
SCHEMBL23040671 0.80 HPGD (0.44) HPGDNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL9695943 0.79 ELANE (0.47) HPGDNPC1RAB9ASMN1; SMN2EGFR
SCHEMBL21480766 0.77 HPGD (0.57) HPGDNPC1RAB9ASMN1; SMN2EGFR

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
US-5144059-A CATECHOLAMINE ESTERS SIMES SOCIETA ITALIANA MEDICINALI E. SINTETICI S.A. (IT) 1992-09-01 US disclosed