SCHEMBL2231683

SCHEMBL2231683

CCCCSC(=S)SC(C)(C#N)CCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 7/20 0.32
PPARD Q03181 7/20 0.32
PPARA Q07869 7/20 0.32
HDAC11 Q96DB2 5/20 0.32
TSHR P16473 4/20 0.32
PTPN1 P18031 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
ALOX15 P16050 1/20 0.32
PDE4A P27815 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE3A Q14432 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
SCHEMBL14486506 0.95 GPR84 (0.37) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL31314993 0.95 GPR84 (0.37) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL31314992 0.95 GPR84 (0.37) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL23398348 0.95 GPR84 (0.37) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL20141938 0.95 GPR84 (0.37) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL23361291 0.95 GPR84 (0.37) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL851743 0.95 GPR84 (0.37) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL19269475 0.95 GPR84 (0.37) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL14246982 0.92 CYP1A2 (0.31) TDP1
SCHEMBL31379944 0.91 HSD17B10 (0.39) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993697-B2 Conducting and semiconducting organic materials Commonwealth Scientific and Industrial Research Institute Organisation (AU) 2015-03-31 US disclosed
US-20130289217-A1 CONDUCTING AND SEMICONDUCTING ORGANIC MATERIALS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-10-31 US disclosed
US-8501889-B2 Conducting and semiconducting organic materials COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-08-06 US disclosed
US-20110166298-A1 CONDUCTING AND SEMICONDUCTING ORGANIC MATERIALS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL ORGANISATION (AU) 2011-07-07 US disclosed
WO-2009155657-A1 CONDUCTING AND SEMICONDUCTING ORGANIC MATERIALS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2009-12-30 WO disclosed
US-20070187656-A1 Photochromic compositions and articles comprising siloxane, alkylene or substituted alkylene oligomers POLYMERS AUSTRALIA PTY LIMITED (AU) 2007-08-16 US disclosed
US-20070187656-A1 Photochromic compositions and articles comprising siloxane, alkylene or substituted alkylene oligomers POLYMERS AUSTRALIA PTY LIMITED (AU) 2007-08-16 US disclosed