SCHEMBL9111003

SCHEMBL9111003

CCC(CC)(SC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
FFAR3 O14843 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 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
SCHEMBL9818165 0.80 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL9567347 0.76 GGPS1 (0.32) CYP1A2KMT2ACYP2C19
SCHEMBL9672382 0.76 ALDH1A1 (0.32) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL11684839 0.74 MEN1 (0.31) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL7878320 0.72 ALDH1A1 (0.33) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL11591784 0.72 CYP2D6 (0.38) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL11450796 0.70 AKR1B1 (0.36) ALDH1A1MEN1KMT2ATSHR
SCHEMBL10801226 0.70
SCHEMBL2956777 0.70
SCHEMBL11256098 0.69 CYP2D6 (0.46) ALDH1A1FFAR3MEN1CYP1A2THRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501312-B2 Charging member CANON KABUSHIKI KAISHA (JP) 2013-08-06 US disclosed
US-20120141161-A1 CHARGING MEMBER CANON KABUSHIKI KAISHA (JP) 2012-06-07 US disclosed
US-4689428-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1987-08-25 US disclosed
US-4663476-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1987-05-05 US disclosed
US-4654218-A AND CIS-3-HEXENOL INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1987-03-31 US disclosed
US-4594254-A Flavoring with methylthioalkanoic acid esters INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-06-10 US disclosed