SCHEMBL11035882

SCHEMBL11035882

COC(=O)C(C(C)=O)=C1SC=CS1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.50
PDE4D Q08499 1/20 0.50
ALDH1A1 P00352 2/20 0.34
MAPT P10636 3/20 0.32
POLB P06746 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 2/20 0.31
CYP2C9 P11712 1/20 0.31
DNMT1 P26358 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL8531168 0.89 ADRA1A (0.61) ADRA1APDE4DALDH1A1
SCHEMBL8385459 0.83 ADRA1A (0.50) ADRA1APDE4DALDH1A1MAPTKDM4E
SCHEMBL9665862 0.82 ADRA1A (0.50) ADRA1APDE4DMAPT
SCHEMBL9673550 0.76 ADRA1A (0.47) ADRA1APDE4D
SCHEMBL11700838 0.73 ADRA1A (0.53) ADRA1APDE4DALDH1A1MAPTMEN1
SCHEMBL9672783 0.72 ADRA1A (0.44) ADRA1APDE4DALDH1A1MAPTMEN1
SCHEMBL28696790 0.71 ALDH1A1 (0.39) ALDH1A1MAPTKMT2A
SCHEMBL9663808 0.70 CES2 (0.56) MAPTMEN1KMT2ACYP2C19
SCHEMBL10498540 0.68 ADRA1A (0.39) ADRA1APDE4D
Malotilate SCHEMBL635496 0.67 ADRA1A (1.00) ADRA1APDE4DMEN1KMT2AGAA

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
JP-59042377-A None JP disclosed
JP-S5942377-A DITHIOL DERIVATIVE NIPPON NOHYAKU CO LTD 1984-03-08 JP disclosed