SCHEMBL9065839

SCHEMBL9065839

O=S(=O)(c1cccc(OCC2CO2)c1)c1cccc(OCC2CO2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
TP53 P04637 3/20 0.70
TSHR P16473 3/20 0.70
HIF1A Q16665 2/20 0.70
CYP3A4 P08684 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
PKM P14618 2/20 0.67
LMNA P02545 2/20 0.67
GAA P10253 1/20 0.67
TDP1 Q9NUW8 1/20 0.57
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
MAPT P10636 3/20 0.43
HPGD P15428 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 0.41
F2 P00734 1/20 0.41

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
SCHEMBL28737822 0.91 ALDH1A1 (0.62) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL29650401 0.88 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL29650266 0.88 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21054647 0.88 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL19692793 0.88 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL19692795 0.88 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL19692846 0.88 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21054645 0.88 ALDH1A1 (0.66) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21353803 0.87 ALDH1A1 (0.64) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21353800 0.87 ALDH1A1 (0.64) ALDH1A1TP53TSHRHIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441383-B1 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO (JP) 1996-05-08 EP claimed
US-5183870-A A curable polybutylene glycol di(meth)acrylate, a urethane or epoxy (meth)acrylate and a (meth)acrylate; heat and water resistance; impact strength; dyeability; workability MITSUBISHI RAYON CO., LTD (JP) 1993-02-02 US claimed
EP-0441383-A2 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO., LTD. (JP) 1991-08-14 EP claimed
EP-0441383-B1 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO (JP) 1996-05-08 EP disclosed
US-5183870-A A curable polybutylene glycol di(meth)acrylate, a urethane or epoxy (meth)acrylate and a (meth)acrylate; heat and water resistance; impact strength; dyeability; workability MITSUBISHI RAYON CO., LTD (JP) 1993-02-02 US disclosed
EP-0441383-A2 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO., LTD. (JP) 1991-08-14 EP disclosed