SCHEMBL436191

SCHEMBL436191

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.36
FFAR3 O14843 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GPR84 Q9NQS5 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGS2 P35354 1/20 0.31
GABRR1 P24046 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
CACNB3 P54284 1/20 0.30
CACNA2D1 P54289 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
SCHEMBL2469033 0.76 SLC22A6 (0.32) SLC22A6FFAR3TDP1GPR84SMN1; SMN2
SCHEMBL9329820 0.75 SLC22A6 (0.39) SLC22A6TDP1SMN1; SMN2MAPTLMNA
SCHEMBL16581578 0.71 SLC22A6 (0.32) SLC22A6TDP1SMN1; SMN2
SCHEMBL1849072 0.70 RNPEP (0.42) TDP1MAPTLMNAALDH1A1GABRR1
SCHEMBL15822715 0.70 SLC22A6 (0.31) SLC22A6TDP1
SCHEMBL17998002 0.70 GPR84 (0.36) SLC22A6FFAR3TDP1GPR84MAPT
SCHEMBL17998006 0.70 GPR84 (0.36) SLC22A6FFAR3TDP1GPR84MAPT
Propane SCHEMBL28262292 0.67 SLC22A6 (0.41) SLC22A6FFAR3TDP1GPR84SMN1; SMN2
SCHEMBL869031 0.67
SCHEMBL1131424 0.67 SLC22A6 (0.32) SLC22A6TDP1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389405-A1 POLYURETHANE CASTING COMPOUNDS Bayer MaterialScience AG (DE) 2011-11-30 EP disclosed
EP-2389403-A1 POLYURETHANE SEALING COMPOUNDS Bayer MaterialScience AG (DE) 2011-11-30 EP disclosed
US-20110257454-A1 Use of an Additive in the Coupling of Toluene with a Carbon Source FINA TECHNOLOGY, INC. (US) 2011-10-20 US disclosed
US-20110255211-A1 HIGHLY DIELECTRIC FILM DAIKIN INDUSTRIES, LTD. (JP) 2011-10-20 US disclosed