SCHEMBL4228230

SCHEMBL4228230

CCCCCC(=S)SN1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1B1 P15121 1/20 0.36
GPR84 Q9NQS5 7/20 0.35
PPARG P37231 7/20 0.35
PPARD Q03181 7/20 0.35
PPARA Q07869 7/20 0.35
HDAC11 Q96DB2 5/20 0.35
TSHR P16473 4/20 0.35
PTPN1 P18031 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
MEN1 O00255 1/20 0.35
ESR1 P03372 1/20 0.35
ALOX15 P16050 1/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL11568571 0.70 LMNA (0.31) KMT2ASMN1; SMN2
Hexanoate SCHEMBL2098722 0.68 AKR1B1 (0.59) KMT2AAKR1B1GPR84PPARGPPARD
SCHEMBL4379010 0.68 AKR1B1 (0.35) KMT2AAKR1B1GPR84PPARGPPARD
SCHEMBL2100566 0.67 L3MBTL1 (0.50) KMT2ASMN1; SMN2AKR1B1GPR84PPARG
SCHEMBL1897902 0.67 TLR4 (0.32) ALDH1A1
SCHEMBL10794655 0.67 MGLL (0.41) KMT2ASMN1; SMN2GPR84ALDH1A1HSD17B10
Palmitic Acid SCHEMBL1815959 0.67 GPR84 (0.61) KMT2AAKR1B1GPR84PPARGPPARD
Stearic Acid SCHEMBL4612415 0.67 GPR84 (0.61) KMT2AAKR1B1GPR84PPARGPPARD
Octanoic Acid SCHEMBL5663459 0.67 GPR84 (0.61) KMT2AAKR1B1GPR84PPARGPPARD
Myristic Acid SCHEMBL3299115 0.67 GPR84 (0.61) KMT2AAKR1B1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589070-B2 Surface modification for improving biocompatibility THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2009-09-15 US disclosed
US-20030044408-A1 Surface modification for improving biocompatibility THE CHILDREN'S HOSPITAL OF PHILADELPHIA 2003-03-06 US disclosed
WO-2002103004-A1 SURFACE MODIFICATION FOR IMPROVING BIOCOMPATIBILITY THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2002-12-27 WO disclosed