SCHEMBL3118844

SCHEMBL3118844

C=CCCCCCCCCCC(CCCCCCCCCC=C)C(=O)OCCCCCCCCCCOC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.52
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PTGS1 P23219 2/20 0.47
▸ AKR1C3 P42330 2/20 0.47
▸ AKR1C2 P52895 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CDC42 P60953 1/20 0.47
▸ RAC1 P63000 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL3114530 0.94 PTGS2 (0.50) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL13114177 0.89 PTGS2 (0.46) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL3106411 0.85 TDP1 (0.52) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL3106407 0.85 TDP1 (0.52) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL13592731 0.83 TDP1 (0.69) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL6712271 0.81 PTGS2 (0.55) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL10729842 0.80 PTGS2 (0.62) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL11718787 0.80 PTGS2 (0.62) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL10733997 0.80 PTGS2 (0.62) PTGS2TDP1L3MBTL1PTGS1AKR1C3
SCHEMBL3106087 0.80 PTGS2 (0.62) PTGS2TDP1L3MBTL1PTGS1AKR1C3

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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