SCHEMBL14084008

SCHEMBL14084008

CC(=O)OC/C=C/C=C(C)\C=N\O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
PTPN1 P18031 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SLCO1B1 Q9Y6L6 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
SCHEMBL11659644 0.77 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10LMNAPTPN1
SCHEMBL11659646 0.77 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10LMNAPTPN1
SCHEMBL14083220 0.76 ALDH1A1 (0.33) ALDH1A1ALOX15HSD17B10LMNAPTPN1
SCHEMBL11039206 0.76 ALDH1A1 (0.46) ALDH1A1ALOX15HSD17B10LMNAPTPN1
SCHEMBL11039208 0.76 ALDH1A1 (0.46) ALDH1A1ALOX15HSD17B10LMNAPTPN1
SCHEMBL14023892 0.75 ALDH1A1 (0.33) ALDH1A1ALOX15HSD17B10LMNACYP3A4
SCHEMBL271027 0.71 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10LMNAPTPN1
SCHEMBL221749 0.71 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10LMNAPTPN1
SCHEMBL74779 0.71 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10LMNAPTPN1
SCHEMBL7862517 0.70

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-2008106225-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed