SCHEMBL9675950

SCHEMBL9675950

COc1ccc(NC(=O)C(C(=O)OC(C)C)=C2SC=CS2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.57
PDE4D Q08499 1/20 0.57
RAB9A P51151 9/20 0.56
NPC1 O15118 9/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
TP53 P04637 2/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
METAP2 P50579 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.42
KLK7 P49862 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL9706762 0.88 ADRA1A (0.55) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9706769 0.87 ADRA1A (0.60) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9674389 0.87 ADRA1A (0.60) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9675401 0.87 ADRA1A (0.60) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9674557 0.86 ADRA1A (0.59) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9672872 0.86 ADRA1A (0.59) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9674439 0.85 ADRA1A (0.52) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9672860 0.85 ADRA1A (0.62) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9673951 0.83 ADRA1A (0.50) ADRA1APDE4DRAB9ANPC1SMN1; SMN2
SCHEMBL9672809 0.83 ADRA1A (0.59) ADRA1APDE4DCYP2D6TP53HTT

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 2 patents. 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
EP-0298040-B1 1,3-DITHIOL-2-YLIDENE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1992-08-26 EP disclosed