SCHEMBL4731418

SCHEMBL4731418

CCCCSC(=S)SCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
AKR1B1 P15121 1/20 0.46
GPR84 Q9NQS5 7/20 0.45
PPARG P37231 7/20 0.45
PPARD Q03181 7/20 0.45
PPARA Q07869 7/20 0.45
TSHR P16473 6/20 0.45
HDAC11 Q96DB2 5/20 0.45
PTPN1 P18031 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL28039727 0.92 GPR84 (0.52) CYP1A2AKR1B1GPR84PPARGPPARD
SCHEMBL4455772 0.85 CYP1A2 (0.65) CYP1A2TSHRALDH1A1TDP1KMT2A
SCHEMBL4455371 0.85 GPR84 (0.63) CYP1A2AKR1B1GPR84PPARGPPARD
SCHEMBL4445906 0.83 CYP1A2 (0.54) CYP1A2TSHRHDAC11ALDH1A1TDP1
SCHEMBL35715 0.82 NOS3 (0.50) CYP1A2TSHRALDH1A1
SCHEMBL11856427 0.81 TSHR (0.48) CYP1A2AKR1B1GPR84TSHRHDAC11
SCHEMBL28986336 0.78 GPR84 (0.59) CYP1A2AKR1B1GPR84PPARGPPARD
SCHEMBL15974606 0.78 TSHR (0.48) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL29840718 0.77 HSD17B10 (0.58) GPR84PPARGPPARDPPARATSHR
SCHEMBL11760685 0.76 NOS3 (0.44) CYP1A2HDAC11ALDH1A1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947476-A1 NON-CORE-SHELL POLYMER PARTICLES The University of Sydney (AU) 2022-02-09 EP disclosed
WO-2008046156-A1 VESICULATED POLYMER PARTICLES THE UNIVERSITY OF SYDNEY (AU) 2008-04-24 WO disclosed