SCHEMBL9693395

SCHEMBL9693395

CC(COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(C)OCC3CO3)c(Br)c2)cc1Br)OCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 5/20 0.43
HPGD P15428 3/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.43
GLA P06280 1/20 0.33
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 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
SCHEMBL13385072 0.86 ALDH1A1 (0.51) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL1104781 0.83 ALDH1A1 (0.55) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL3746342 0.82 ALDH1A1 (0.50) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL26215138 0.81 ALDH1A1 (0.47) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL19184849 0.81 ALDH1A1 (0.47) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL21846072 0.80 ALDH1A1 (0.51) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL6856005 0.79 ALDH1A1 (0.43) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL677953 0.79 ALDH1A1 (0.47) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL13085712 0.79 ALDH1A1 (0.47) ALDH1A1TSHRHPGDTP53HIF1A
SCHEMBL14601522 0.79 ALDH1A1 (0.47) ALDH1A1TSHRHPGDTP53HIF1A

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-5132384-A Acrylated polyether copolymer NIPPON SHOKUBAI CO., LTD. (JP) 1992-07-21 US disclosed
EP-0430073-A2 Optical material of low specific gravity and excellent impact resistance, optical molding product using the optical material and manufacturing method thereof NIPPON SHOKUBAI CO., LTD. (JP) 1991-06-05 EP disclosed