SCHEMBL7606323

SCHEMBL7606323

O=C(CCS)OCCC(CO)(CO)CO

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
DGKA P23743 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
DNM1 Q05193 1/20 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
SCHEMBL542103 0.87 ADRA2A (0.43) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL4820925 0.83 TSHR (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL7027046 0.83 DGKA (0.47) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL4304487 0.82 ADRA2A (0.32) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL28022258 0.82 DGKA (0.50) ADRA2AADRA1AMAPTDGKAALDH1A1
SCHEMBL11357278 0.80 DGKA (0.44) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL11652774 0.79 DNM1 (0.45) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL331657 0.79 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL330872 0.79 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL330799 0.79 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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
CN-108026491-A Cleaning composition 富士胶片电子材料美国有限公司 2018-05-11 CN disclosed
US-6475689-B2 USED IN PRINTERS, COPIERS FACSIMILE MACHINES KONICA CORPORATION (JP) 2002-11-05 US disclosed
US-20020034703-A1 Toner for developing electrostatic latent image KONICA CORPORATION, A CORPORATION OF JAPAN (JP) 2002-03-21 US disclosed
US-6218449-B1 CONTACTING AN ELASTOMER, A FUNCTIONALISING AGENT AND OPTIONALLY, A PEROXIDE COMPOUND, THE FUNCTIONALISING AGENT BEING A THIOLCARBOXYLIC ACID POLYESTER OR A REACTION PRODUCT OF A THIOLCARBOXYLIC ACID POLYESTER WITH ETHYLENE SULFIDE ELF ANTAR FRANCE (FR) 2001-04-17 US disclosed
EP-0422836-B1 Resin for urethane lenses, lenses comprising the resin, and a process for preparation of the resin and the lenses MITSUI TOATSU CHEMICALS (JP) 1994-08-24 EP disclosed
US-5059673-A bis(isocyanatomethyl)-norbornane or -4,7methonohexahydroindan e high refractive index, lightweight, high impact MITSUI TOATSU CHEMICALS, INC. (JP) 1991-10-22 US disclosed