SCHEMBL6248837

SCHEMBL6248837

O=C(CCCCCCCCC(=O)OCc1cc(Br)cc(Br)c1O)OCc1cc(Br)cc(Br)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
ELANE P08246 3/20 0.37
GFER P55789 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
PLEC Q15149 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL9319479 0.98 TTR (0.41) TTRCYP3A4TSHRTDP1AKR1C4
SCHEMBL9319210 0.95 TTR (0.41) TTRCYP3A4TSHRTDP1AKR1C4
SCHEMBL31668182 0.95 TTR (0.41) TTRCYP3A4TSHRTDP1AKR1C4
SCHEMBL27515109 0.94 TTR (0.40) TTRCYP3A4TSHRTDP1AKR1C4
SCHEMBL20659945 0.93 TTR (0.41) TTRCYP3A4TSHRTDP1AKR1C4
SCHEMBL6053862 0.92 CYP3A4 (0.43) TTRCYP3A4TSHRTDP1AKR1C4
SCHEMBL29586703 0.86 TTR (0.43) TTRCYP3A4TSHRTDP1AKR1C4
SCHEMBL7750809 0.79 TTR (0.39) TTRCYP3A4TSHRTDP1AKR1C4
SCHEMBL8314107 0.78 HSP90AA1 (0.39) TDP1ELANEMAPTALDH1A1
SCHEMBL87887 0.78 HCAR2 (0.43) TTRCYP3A4TSHRTDP1AKR1C4

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-1011710-B1 METHODS AND COMPOSITIONS FOR OPTIMIZATION OF OXYGEN TRANSPORT BY CELL-FREE SYSTEMS UNIV CALIFORNIA (US) 2005-08-17 EP disclosed
US-5998361-A Polymerized hemoglobin UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1999-12-07 US disclosed