SCHEMBL3924331

SCHEMBL3924331

CC(C)(S)[C@H](NC=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
PTGS1 P23219 1/20 0.46
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL6671092 1.00 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1ADH1BADH1C
SCHEMBL2775611 0.82 CA2 (0.38) ALDH1A1MAPTPTGS1ADH1BADH1C
SCHEMBL771500 0.82 CA2 (0.38) ALDH1A1MAPTPTGS1ADH1BADH1C
SCHEMBL11828110 0.80 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1
SCHEMBL11793537 0.80 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1
SCHEMBL11837078 0.80 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1
SCHEMBL771732 0.75 ADH1B (0.31) ALDH1A1MAPTPTGS1ADH1BADH1C
SCHEMBL17505982 0.75 PKM (0.40) ALDH1A1MAPTPTGS1TSHR
SCHEMBL162227 0.75 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1
SCHEMBL18095145 0.75 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527682-B2 Ink composition for inkjet recording, ink cartridge including the ink composition, and inkjet recording apparatus including the ink cartridge SAMSUNG ELECTRONICS CO., LTD (KR) 2009-05-05 US claimed
US-20090000510-A1 INK COMPOSITION FOR INKJET RECORDING, INK CARTRIDGE INCLUDING THE INK COMPOSITION, AND INKJET RECORDING APPARATUS INCLUDING THE INK CARTRIDGE SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-01-01 US claimed
US-7527682-B2 Ink composition for inkjet recording, ink cartridge including the ink composition, and inkjet recording apparatus including the ink cartridge SAMSUNG ELECTRONICS CO., LTD (KR) 2009-05-05 US disclosed
US-20090000510-A1 INK COMPOSITION FOR INKJET RECORDING, INK CARTRIDGE INCLUDING THE INK COMPOSITION, AND INKJET RECORDING APPARATUS INCLUDING THE INK CARTRIDGE SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-01-01 US disclosed