SCHEMBL1628525

SCHEMBL1628525

O=C(O)COCC(O)COC(COCC(=O)O)COC(COCC(=O)O)COC(COc1ccccc1)COC(COc1ccccc1)COC(COCCCc1ccccc1)COc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.45
▸ FFAR1 O14842 2/20 0.44
▸ PLA2G10 O15496 1/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ PLA2G5 P39877 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL1628873 1.00 PLA2G2A (0.45) PLA2G2AFFAR1PLA2G10PLA2G1BPLA2G5
SCHEMBL12222354 0.99 PLA2G2A (0.46) PLA2G2AFFAR1PLA2G10PLA2G1BPLA2G5
SCHEMBL12222339 0.95 FFAR1 (0.46) PLA2G2AFFAR1PLA2G10PLA2G1BPLA2G5
SCHEMBL1630192 0.89 PLA2G2A (0.45) PLA2G2AFFAR1PLA2G10PLA2G1BPLA2G5
SCHEMBL15868179 0.89 PLA2G2A (0.45) PLA2G2AFFAR1PLA2G10PLA2G1BPLA2G5
SCHEMBL12222356 0.85 PLA2G2A (0.46) PLA2G2AFFAR1PLA2G10PLA2G1BPLA2G5
SCHEMBL1629423 0.84 PLA2G2A (0.44) PLA2G2AFFAR1PLA2G10PLA2G1BPLA2G5
SCHEMBL1631257 0.83 PLA2G2A (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5ADRB2
SCHEMBL12222345 0.82 MEN1 (0.43) PLA2G2AFFAR1PLA2G10PLA2G1BPLA2G5
SCHEMBL14865518 0.82 MEN1 (0.51) FFAR1ADRB2ADRB1ADRB3MEN1

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-20140194025-A1 Production of Highly Concentrated Solutions of Self-Assembling Proteins FREUDENBERG FORSCHUNGSDIENSTE KG (DE) 2014-07-10 — — US disclosed
US-20120085262-A1 Production of Highly Concentrated Solutions of Self-Assembling Proteins FREUDENBERG FORSCHUNGSDIENSTE KG (DE) 2012-04-12 — — US disclosed
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