SCHEMBL9706762

SCHEMBL9706762

CC(=O)Oc1ccc(NC(=O)C(C(=O)OC(C)C)=C2SC=CS2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.55
PDE4D Q08499 1/20 0.55
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL9673951 0.95 ADRA1A (0.50) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9675950 0.88 ADRA1A (0.57) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9674389 0.87 ADRA1A (0.60) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9675401 0.85 ADRA1A (0.60) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9706769 0.85 ADRA1A (0.60) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9672872 0.84 ADRA1A (0.59) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9674557 0.84 ADRA1A (0.59) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9672860 0.83 ADRA1A (0.62) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9672809 0.81 ADRA1A (0.59) ADRA1APDE4DCYP2D6ALDH1A1LMNA
SCHEMBL9672771 0.81 ADRA1A (0.55) ADRA1APDE4DRAB9ANPC1MAPT

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-5158950-A Treatment of liver disorders YUHAN CORPORATION, LTD. (KR) 1992-10-27 US disclosed