SCHEMBL7803073

SCHEMBL7803073

O=C(O)c1ccc(S)c(I)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 4/20 0.54
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA12 O43570 4/20 0.46
CA6 P23280 4/20 0.46
CA9 Q16790 4/20 0.46
CA4 P22748 3/20 0.46
CA7 P43166 3/20 0.46
CA14 Q9ULX7 3/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2C Q14957 1/20 0.46

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
SCHEMBL17816183 0.84 TPMT (0.48) TPMTTSHRTP53CA1CA2
SCHEMBL2723610 0.81 TPMT (0.58) TPMTTSHRTP53CA1CA2
SCHEMBL29364242 0.81 TPMT (0.58) TPMTTSHRTP53CA1CA2
SCHEMBL205882 0.79 TPMT (0.56) TPMTTSHRTP53CA1CA2
SCHEMBL21383062 0.78 TSHR (0.55) TPMTTSHRTP53CA1CA2
SCHEMBL8093762 0.78 CA1 (0.52) TSHRTP53CA1CA2CA12
SCHEMBL31273942 0.78 CA1 (0.52) TSHRTP53CA1CA2CA12
SCHEMBL30329647 0.77 CA12 (0.64) TPMTTSHRTP53CA1CA2
SCHEMBL6645457 0.77 TPMT (0.54) TPMTTSHRTP53CA1CA2
SCHEMBL566608 0.77 CA12 (0.64) TPMTTSHRTP53CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882033-B1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CT INTERNAT DE RECH S (FR) 2001-08-16 EP disclosed
EP-0882033-A1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-12-09 EP disclosed
WO-1998024778-A1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-06-11 WO disclosed