SCHEMBL8722927

SCHEMBL8722927

C=C(COC(=O)C=S)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
EGFR P00533 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AKT1 P31749 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17594174 0.84 THRB (0.51) ALDH1A1MAPTTDP1MAOAMAOB
SCHEMBL7397388 0.79 CYP1A2 (0.55) ALDH1A1MAPTTDP1MAOAMAOB
SCHEMBL4931565 0.79 LMNA (0.58) ALDH1A1MAPTMAOBKMT2ALMNA
SCHEMBL5143592 0.78 TDP1 (0.57) ALDH1A1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL161364 0.77 ALDH1A1 (0.50) ALDH1A1MAPTTDP1MAOAMAOB
SCHEMBL24501966 0.74 ELANE (0.50) ALDH1A1MAPTTDP1MAOAMAOB
SCHEMBL28450130 0.74 KMT2A (0.49) ALDH1A1MAPTTDP1MAOAMAOB
SCHEMBL7057235 0.72 TDP1 (0.64) ALDH1A1MAPTTDP1KMT2AGAA
SCHEMBL8385273 0.71 LMNA (0.60) ALDH1A1MAPTTDP1MAPK1SLC6A2
SCHEMBL11695098 0.71 MCL1 (0.39) ALDH1A1MAPTTDP1MAOAMAOB

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-5728431-A CLEANING METALLIC SUBSTRATE TO EXPOSE METAL OXIDE LAYER, PREPARING A POLYMERIC SOLUTION OR DISPERSION AND CONTACTING SOLUTION OR DISPERSION WITH SUBSTRATE TEXAS A&M UNIVERSITY SYSTEM (US) 1998-03-17 US claimed
US-5783648-A USEFUL IN THE FORMATION OF SELF-ASSEMBLED POLYMER LAYER ON A PRETREATED METALLIC SUBSTRATE THE TEXAS A&M UNIVERSITY SYSTEM (US) 1998-07-21 US disclosed
US-5728431-A CLEANING METALLIC SUBSTRATE TO EXPOSE METAL OXIDE LAYER, PREPARING A POLYMERIC SOLUTION OR DISPERSION AND CONTACTING SOLUTION OR DISPERSION WITH SUBSTRATE TEXAS A&M UNIVERSITY SYSTEM (US) 1998-03-17 US disclosed