SCHEMBL7749305

SCHEMBL7749305

CCCCCCc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.73
▸ ESR1 P03372 2/20 0.73
▸ ADRA2A P08913 2/20 0.73
▸ ADORA3 P0DMS8 2/20 0.73
▸ TACR2 P21452 2/20 0.73
▸ SLC6A2 P23975 2/20 0.73
▸ SLC6A4 P31645 2/20 0.73
▸ SLC6A3 Q01959 2/20 0.73
▸ ALDH1A1 P00352 2/20 0.73
▸ KDM4E B2RXH2 1/20 0.73
▸ LMNA P02545 1/20 0.73
▸ SHBG P04278 1/20 0.73
▸ TP53 P04637 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ HSPD1 P10809 1/20 0.73
▸ ADRB3 P13945 1/20 0.73
▸ HTR2C P28335 1/20 0.73
▸ HSPE1 P61604 1/20 0.73
▸ HIF1A Q16665 1/20 0.73
▸ TST Q16762 1/20 0.73

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
SCHEMBL8508122 1.00 PTGS2 (0.73) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL8520963 0.91 CA2 (0.70) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL10414456 0.91 CA2 (0.70) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL8420694 0.89 CA2 (0.72) PTGS2ESR1ADRA2AADORA3TACR2
4-Octylphenol SCHEMBL7640100 0.88 ESR1 (0.76) PTGS2ESR1ADRA2AADORA3TACR2
Sulfuric Acid SCHEMBL5935174 0.88 ESR1 (0.76) PTGS2ESR1ADRA2AADORA3TACR2
4-Nonylphenol SCHEMBL5935181 0.88 ESR1 (0.76) PTGS2ESR1ADRA2AADORA3TACR2
4-Octylphenol SCHEMBL7643105 0.88 PTGS2 (0.81) PTGS2ESR1ADRA2AADORA3TACR2
4-Nonylphenol SCHEMBL2183411 0.88 PTGS2 (0.81) PTGS2ESR1ADRA2AADORA3TACR2
Sulfuric Acid SCHEMBL11228881 0.88 PTGS2 (0.81) PTGS2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559525-B2 Thermal printing medium and method for preparing the same TOMOEGAWA PAPER CO LTD (JP) 2001-02-07 — — EP disclosed
EP-0559525-B1 Thermal printing medium and method for preparing the same TOMOEGAWA PAPER CO LTD (JP) 1997-11-05 — — EP disclosed
US-5296441-A Having heat sensitive layer containing monoetherified dihydroxyphenyl sulfone developer, aluminum hydroxide TOMOEGAWA PAPER CO., LTD. (JP) 1994-03-22 — — US disclosed
EP-0559525-A2 Thermal printing medium and method for preparing the same TOMOEGAWA PAPER CO. LTD. (JP) 1993-09-08 — — EP disclosed
Send feedback