SCHEMBL8722923

SCHEMBL8722923

C=Cc1ccc(S)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ TRPA1 O75762 1/20 0.38
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ ALOX5 P09917 3/20 0.32
▸ PTGS1 P23219 3/20 0.32
▸ PTGS2 P35354 3/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ TUBB1 Q9H4B7 1/20 0.31
▸ SRD5A1 P18405 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
SCHEMBL7895817 0.78 ALDH1A1 (0.50) TDP1TP53ALDH1A1TRPA1MAPT
SCHEMBL293173 0.78 ALDH1A1 (0.50) TDP1TP53ALDH1A1TRPA1MAPT
SCHEMBL29407001 0.78 ALDH1A1 (0.50) TDP1TP53ALDH1A1TRPA1MAPT
SCHEMBL15794700 0.77 ALDH1A1 (0.47) TDP1ALDH1A1TSHRPTGS2
SCHEMBL7086584 0.74 TDP1 (0.46) TDP1TP53ALDH1A1TRPA1MAPT
SCHEMBL29908313 0.74 TDP1 (0.46) TDP1TP53ALDH1A1TRPA1MAPT
SCHEMBL7112623 0.74 TDP1 (0.46) TDP1TP53ALDH1A1TRPA1MAPT
SCHEMBL3432665 0.73 TDP1 (0.50) TDP1TP53ALDH1A1TRPA1MAPT
SCHEMBL16958959 0.73 TDP1 (0.45) TDP1TP53ALDH1A1TRPA1MAPT
SCHEMBL578860 0.73 TDP1 (0.45) TDP1TP53ALDH1A1TRPA1MAPT

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
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