SCHEMBL7909485

SCHEMBL7909485

O=C1OCCOC(=O)c2cc1cc(S(=O)(=O)O)c2.[Na]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ING2 Q9H160 1/20 0.39
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 3/20 0.33
PKLR P30613 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.31
NT5E P21589 2/20 0.31
NAPRT Q6XQN6 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL11643499 1.00 ING2 (0.39) ING2TSHRSMN1; SMN2LCKFYN
SCHEMBL7784537 0.92 ING2 (0.37) ING2TSHRSMN1; SMN2LCKFYN
SCHEMBL30298635 0.92 ING2 (0.37) ING2TSHRSMN1; SMN2LCKFYN
SCHEMBL5140582 0.80 ING2 (0.34) ING2TSHRSMN1; SMN2LCKFYN
SCHEMBL5370947 0.80 ALDH1A1 (0.35) TSHRALDH1A1TDP1LMNA
SCHEMBL28880053 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7909476 0.78 DUSP5 (0.40) TSHRTDP1PKMPKLRNPC1
SCHEMBL14967792 0.78 ESR1 (0.38) SMN1; SMN2ALDH1A1LMNA
SCHEMBL28706397 0.70 MAPT (0.33) ALDH1A1TDP1LMNA
SCHEMBL3390782 0.69 PRF1 (0.34) HSD17B10LMNACYP2C9

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-6200511-B1 OUTER LAYER OF A COPOLYMER OR OF A MIXTURE OF POLYMERS WHICH COMPRISES AT LEAST 35 MOL % OF ETHYLENE 2,6-NAPHTHALATE UNITS, UP TO 44 MOL % OF ETHYLENE TEREPHTHALATE UNITS, AND FROM 1 TO 20 MOL % OF ETHYLENE ISOPHTHALATE UNITS MITSUBISHI POLYESTER FILM GMBH (DE) 2001-03-13 US disclosed