SCHEMBL8722929

SCHEMBL8722929

C=Cc1ccccc1COC(C)=S

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KMT2A Q03164 3/20 0.34
CYP3A4 P08684 2/20 0.31
MEN1 O00255 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 3/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
RAB9A P51151 2/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL61037 0.84 ALDH1A1 (0.50) ALDH1A1KMT2ACYP3A4KDM4ELMNA
SCHEMBL1004827 0.81 ALDH1A1 (0.33) ALDH1A1CA12CA1CA2CA9
Trimethylammonium SCHEMBL23711255 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ACYP3A4KDM4ELMNA
Alcohol SCHEMBL11693989 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ACYP3A4MEN1KDM4E
SCHEMBL2028829 0.80 TSHR (0.36) ALDH1A1KMT2ACYP3A4MEN1KDM4E
SCHEMBL9615715 0.78 ALDH1A1 (0.40) ALDH1A1KMT2ACYP3A4MEN1KDM4E
SCHEMBL2029842 0.77 THRB (0.46) ALDH1A1CYP3A4LMNATHRBHPGD
SCHEMBL31602197 0.77 ALDH1A1 (0.40) ALDH1A1KMT2ACYP3A4MEN1KDM4E
SCHEMBL58238 0.77 ALDH1A1 (0.40) ALDH1A1KMT2ACYP3A4MEN1KDM4E
SCHEMBL28106174 0.77 ALDH1A1 (0.41) ALDH1A1KMT2ACYP3A4KDM4EMAPT

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