SCHEMBL6854047

SCHEMBL6854047

CCSC(CC)(SCC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR3 O14843 1/20 0.32
TSHR P16473 2/20 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
SCHEMBL401409 0.82 TSHR (0.44) ALDH1A1FFAR3TSHR
SCHEMBL7878320 0.76 ALDH1A1 (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL9672382 0.74 ALDH1A1 (0.32) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL28948899 0.73 HSD17B10 (0.47) ALDH1A1MEN1THRBKMT2ATSHR
SCHEMBL8837557 0.70
SCHEMBL10924273 0.70 TSHR (0.38) ALDH1A1FFAR3TSHR
SCHEMBL1141777 0.70 ALDH1A1 (0.38) ALDH1A1FFAR3TSHR
SCHEMBL28965296 0.70 GRM2 (0.31) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL9463618 0.69 TSHR (0.31) TSHR
Propionic Acid SCHEMBL8734813 0.65 FFAR3 (0.48) ALDH1A1MEN1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384321-B1 THAT FORMS AN ONIUM SALT WITH A IMIDAZOLIUM SALT; A HALOGEN CONTAINING COMPOUND; NITROGEN, PHOSPHOROUS OR SULFUR CONTAINING COMPOUND KABUSHIKI KAISHA TOSHIBA (JP) 2002-05-07 US claimed
EP-1087412-A2 Electrolyte composition, photosensitized solar cell using said electrolyte composition, and method of manufacturing photosensitized solar cell KABUSHIKI KAISHA TOSHIBA (JP) 2001-03-28 EP claimed
US-20040211461-A1 Dye-sensitized solar cell KABUSHIKI KAISHA TOSHIBA (JP) 2004-10-28 US disclosed
EP-1087412-A2 Electrolyte composition, photosensitized solar cell using said electrolyte composition, and method of manufacturing photosensitized solar cell KABUSHIKI KAISHA TOSHIBA (JP) 2001-03-28 EP disclosed
US-3980579-A FOR PREPARATION OF POLYURETHANE FOAMS; TERTIARY AMINE, SULFUR-CONTAINING ORGANOTIN COMPOUND OLIN CORPORATION (US) 1976-09-14 US disclosed