SCHEMBL3105481

SCHEMBL3105481

CC(C)Cc1ccc([C@H](C)C(=O)OCCCCCCCCCCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.59
PTGS1 P23219 4/20 0.54
CXCR1 P25024 3/20 0.54
CXCR2 P25025 3/20 0.54
LMNA P02545 2/20 0.54
CYP2C9 P11712 2/20 0.54
AKR1C3 P42330 2/20 0.54
ALB P02768 1/20 0.54
ESR1 P03372 1/20 0.54
ALOX5 P09917 1/20 0.54
RARB P10826 1/20 0.54
ADRB3 P13945 1/20 0.54
NFKB1 P19838 1/20 0.54
HTR2A P28223 1/20 0.54
NR1I3 Q14994 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
CXCL8 P10145 1/20 0.54
TSHR P16473 1/20 0.54
AKR1C2 P52895 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL13291872 1.00 PTGS2 (0.59) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL13291871 1.00 PTGS2 (0.59) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL3105475 1.00 PTGS2 (0.59) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL13291869 0.99 PTGS2 (0.60) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL13291867 0.94 PTGS2 (0.61) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL12884181 0.94 PTGS2 (0.64) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL2129263 0.89 PTGS2 (0.59) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL9523336 0.89 PTGS2 (0.59) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL6551231 0.87 PTGS2 (0.57) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL11446179 0.86 PTGS2 (0.59) PTGS2PTGS1CXCR1CXCR2LMNA

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
US-20100255050-A1 Polyethylene Based Bioactive Agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2010-10-07 US disclosed
WO-2009015274-A2 POLYETHYLENE BASED BIOACTIVE AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-01-29 WO disclosed