SCHEMBL13296458

SCHEMBL13296458

O=S(O)c1cccc(N(CC(O)COc2ccccc2)CC(O)COc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.41
ABCB1 P08183 1/20 0.40
CETP P11597 2/20 0.39
CYP2D6 P10635 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CDK4 P11802 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
SCHEMBL21792721 0.81 POLB (0.54) HIF1APOLBABCB1CYP2D6L3MBTL1
SCHEMBL1108386 0.78 HIF1A (0.44) HIF1APOLBABCB1CETPCYP2D6
SCHEMBL1108418 0.74 POLB (0.44) HIF1APOLBABCB1CETPCYP2D6
SCHEMBL11663021 0.73 POLB (0.51) HIF1APOLBCETPCYP2D6ADRB2
SCHEMBL1108408 0.72 GAA (0.39) HIF1APOLBABCB1CETPCYP2D6
SCHEMBL11505627 0.69 HIF1A (0.55) HIF1APOLBABCB1CYP2D6L3MBTL1
SCHEMBL10072400 0.68 TSHR (0.61) HIF1ACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL267463 0.67 LMNA (0.68) HIF1APOLBCYP2D6L3MBTL1ADRB2
SCHEMBL258823 0.67 HIF1A (0.75) HIF1APOLBABCB1CYP2D6ADRB2
SCHEMBL8850262 0.67 POLB (0.49) HIF1APOLBABCB1CYP2D6L3MBTL1

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
US-7737305-B2 Sulfonic acid polyol compound, polyurethane resin, polyurethane resin for magnetic recording medium, and magnetic recording medium FUJIFILM CORPORATION (JP) 2010-06-15 US disclosed