SCHEMBL9399667

SCHEMBL9399667

Cc1cc(S)cc(C(C)(C)C)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 5/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CA2 P00918 1/20 0.37
TYR P14679 1/20 0.37
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 3/20 0.31
ALOX15 P16050 2/20 0.31
MAPT P10636 1/20 0.31
ATP2A2 P16615 1/20 0.31
ATP2A3 Q93084 1/20 0.31
HIF1A Q16665 2/20 0.31
HSPA5 P11021 1/20 0.31
MAPK1 P28482 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
SCHEMBL16022232 0.79 ALDH1A1 (0.52) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL487173 0.78 ALDH1A1 (0.58) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL10342450 0.77 POLB (0.70) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL5158750 0.77 POLB (0.50) POLBALDH1A1TP53CYP3A4TSHR
Hydrochloric Acid SCHEMBL5424687 0.76 POLB (0.54) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL23328070 0.74 POLB (0.46) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL31196962 0.74 CYP2C9 (0.63) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL891539 0.74 CYP2C9 (0.63) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL1930777 0.74 ALDH1A1 (0.56) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL7795745 0.73 POLB (0.50) POLBALDH1A1TP53CYP3A4TSHR

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
US-5321067-A Oxidation, heat resistance CIBA-GEIGY CORPORATION (US) 1994-06-14 US disclosed
US-5145970-A Oil additives CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed