SCHEMBL4557907

SCHEMBL4557907

CC/C=C\C/C=C\C/C=C\CCCCCCC(CC)COC(=O)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 4/20 0.45
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
F7 P08709 2/20 0.43
F3 P13726 2/20 0.43
MAPT P10636 2/20 0.43
CYP19A1 P11511 2/20 0.43
NR1I2 O75469 2/20 0.43
PTGS2 P35354 2/20 0.43
OXER1 Q8TDS5 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 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
SCHEMBL9069413 0.84 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1ALOX15
SCHEMBL3689860 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1ALOX15
SCHEMBL4557650 0.83 ATM (0.40) ALDH1A1CYP3A4TSHRTDP1ALOX15
SCHEMBL8968862 0.83 FAAH (0.49)
SCHEMBL8968852 0.83 FAAH (0.49)
SCHEMBL3694353 0.83 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRTDP1ALOX15
SCHEMBL2873522 0.81 CYP3A4 (0.68) ALDH1A1CYP3A4TSHRTDP1ALOX15
SCHEMBL9070111 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1ALOX15
SCHEMBL9068874 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1ALOX15
SCHEMBL9069148 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1ALOX15

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
EP-2129646-A2 OMEGA-3 LIPID COMPOUNDS Pronova Biopharma Norge AS (NO) 2009-12-09 EP disclosed
WO-2008132552-A2 OMEGA-3 LIPID COMPOUNDS PRONOVA BIOPHARMA NORGE AS (US) 2008-11-06 WO disclosed