SCHEMBL9675915

SCHEMBL9675915

CCOC(=O)C(C(=O)Nc1ccc(O)cc1)=C1SC=CS1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ALDH1A1 P00352 7/20 0.45
GAA P10253 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
CYP19A1 P11511 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
MAPK1 P28482 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL9706746 0.88 CYP19A1 (0.49) MAPTALDH1A1GAASMN1; SMN2CYP19A1
SCHEMBL9674962 0.87 CYP19A1 (0.52) MAPTALDH1A1SMN1; SMN2CYP19A1KDM4E
SCHEMBL9674811 0.82 ADRA1A (0.49) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL9706769 0.81 ADRA1A (0.60) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL626949 0.81 MAPT (0.73) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL9621031 0.77 ADRA1A (0.55) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL11408843 0.74 MAPT (0.83) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL8625994 0.73 MAPT (0.61) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL9675401 0.73 ADRA1A (0.60) MAPTALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL9673076 0.73 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2KDM4EPOLB

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 3 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
EP-0298040-A1 1,3-Dithiol-2-ylidene derivatives YUHAN CORPORATION, LTD. (KR) 1989-01-04 EP disclosed