SCHEMBL3114754

SCHEMBL3114754

C=CCCCCCCCCCC(CCCCCCCCCC=C)C(=O)OCCCCCCCCCCOC(=O)C(C)c1ccc(CC(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.48
▸ FAAH O00519 1/20 0.43
▸ PTGS1 P23219 4/20 0.43
▸ CXCR1 P25024 3/20 0.43
▸ CXCR2 P25025 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ AKR1C3 P42330 2/20 0.43
▸ ALB P02768 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ RARB P10826 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ NR1I3 Q14994 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ CXCL8 P10145 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43

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
SCHEMBL3114748 1.00 PTGS2 (0.48) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL3113710 0.94 PTGS2 (0.47) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL13114176 0.85 FAAH (0.39) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL3117630 0.84 FAAH (0.45) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL3117626 0.84 FAAH (0.45) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL30116363 0.83 PTGS2 (0.59) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL12884181 0.83 PTGS2 (0.64) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL31121783 0.83 PTGS2 (0.47) PTGS2FAAHPTGS1CXCR1CXCR2
SCHEMBL3118844 0.79 PTGS2 (0.52) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL28531621 0.78 PTGS2 (0.56) PTGS2FAAHPTGS1CXCR1CXCR2

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
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