SCHEMBL14533362

SCHEMBL14533362

C=C(C(=O)O)[C@@H](S)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ABCB11 O95342 1/20 0.40
F2 P00734 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
TET2 Q6N021 3/20 0.33
TET3 O43151 1/20 0.33
TET1 Q8NFU7 1/20 0.33

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
SCHEMBL4625284 0.75
SCHEMBL830552 0.73
SCHEMBL4342259 0.71
SCHEMBL4553480 0.71
SCHEMBL28927469 0.69 TET2 (0.36) HPGDHSD17B10TDP1ABCB11F2
SCHEMBL18140092 0.67 TDP1 (0.36) HPGDHSD17B10TDP1ABCB11F2
SCHEMBL1079489 0.67 TET2 (0.35) TDP1ALDH1A1LMNATET2TET3
SCHEMBL758998 0.67 TET2 (0.40) ALDH1A1LMNATET2TET3TET1
SCHEMBL10337120 0.65 SLC22A6 (0.38) TDP1ALDH1A1MAPTLMNATET2
SCHEMBL28886836 0.65

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-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed