SCHEMBL13845113

SCHEMBL13845113

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(CC)C(=O)OC(COC(=O)CF)COC(=O)CF

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
LMNA P02545 1/20 0.33
SELP P16109 1/20 0.31
FFAR1 O14842 1/20 0.30
MAPT P10636 1/20 0.30
CYP19A1 P11511 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL12200871 0.88 GRIK1 (0.36) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL13090405 0.83 GRIK1 (0.32) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL3068622 0.80 ALDH1A1 (0.41) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL3068618 0.80 ALDH1A1 (0.41) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL13845089 0.76 GRIK1 (0.32) GRIK1GRIK2
SCHEMBL20381959 0.75 ALDH1A1 (0.39) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL3208533 0.74 ADORA3 (0.40) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL444331 0.74 ADORA3 (0.47) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL3696782 0.74 ADORA3 (0.47) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL3205323 0.74 ADORA3 (0.47) NR1I2PGRADORA3PTGS2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009056983-A1 NEW DHA DERIVATIVES AND THEIR USE AS MEDICAMENTS PRONOVA BIOPHARMA NORGE AS (US) 2009-05-07 WO disclosed