SCHEMBL10757641

SCHEMBL10757641

CCC(CC)(C(=O)O)S(=O)(=O)C(CC)(CC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 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
L3MBTL1 Q9Y468 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
SCHEMBL11163268 0.76 SLC22A6 (0.35)
SCHEMBL8747821 0.74 CYP2D6 (0.39) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL28170488 0.74 ALDH1A1 (0.34) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL10829221 0.72 ALDH1A1 (0.33) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL929232 0.72 CYP2D6 (0.38) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL27898754 0.72 CYP2D6 (0.38) ALDH1A1FFAR3MEN1CYP1A2THRB
Ammonia Solution, Strong SCHEMBL27898781 0.72 CYP2D6 (0.38) ALDH1A1FFAR3MEN1CYP1A2THRB
Ammonia Solution, Strong SCHEMBL27739349 0.71 CYP2D6 (0.37) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL9147483 0.63 FFAR3 (0.41) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL173322 0.63 FFAR3 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210763-A1 Moldable polyester-sulfone thermoplastic resin ARCO CHEMICAL TECHNOLOGY, INC. (US) 1987-02-04 EP disclosed
US-4614767-A FROM DIHYDRIC PHENOL AND A BISCA,A-DISUBSTITUTED ACETIC ACID ATLANTIC RICHFIELD COMPANY (US) 1986-09-30 US disclosed