SCHEMBL11599660

SCHEMBL11599660

O=S(=O)(c1ccccc1Oc1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 3/20 0.49
▸ HTR6 P50406 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTGS2 P35354 1/20 0.45
▸ CTNNB1 P35222 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ MMP16 P51512 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ RIPK1 Q13546 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL146565 0.98 CASP1 (0.50) CASP1HTR6LMNAGAAKMT2A
SCHEMBL502864 0.98 CASP1 (0.50) CASP1HTR6LMNAGAAKMT2A
Ammonia Solution, Strong SCHEMBL502557 0.96 CASP1 (0.49) CASP1HTR6LMNAGAAKMT2A
SCHEMBL9323437 0.88 HTR6 (0.65) CASP1HTR6LMNAGAAKMT2A
SCHEMBL11600047 0.87 CASP1 (0.43) CASP1HTR6LMNAGAAKMT2A
SCHEMBL11186053 0.85 MMP13 (0.61) CASP1HTR6LMNAPTGS2MMP2
Biphenyl SCHEMBL1071653 0.83 HTR6 (0.59) CASP1HTR6KMT2APTGS2MMP2
SCHEMBL28656015 0.83 PTGS2 (0.54) CASP1HTR6LMNAGAAKMT2A
SCHEMBL10411384 0.82 LMNA (0.43) CASP1HTR6LMNAGAAKMT2A
SCHEMBL30340391 0.82 NCOA1 (0.51) CASP1HTR6GAAKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4069205-A FROM BI- OR TRI-PHENYLENE SULFIDE, AROMATIC ETHER, AND ISOPHTHALOYL OR TEREPHTHALOYL HALIDE UNIVERSITY PATENTS, INC. (US) 1978-01-17 — — US claimed
US-3935167-A Acetylenic polymers, trimers thereof and the production thereof UNIVERSITY PATENTS, INC. (US) 1976-01-27 — — US claimed
US-4069205-A FROM BI- OR TRI-PHENYLENE SULFIDE, AROMATIC ETHER, AND ISOPHTHALOYL OR TEREPHTHALOYL HALIDE UNIVERSITY PATENTS, INC. (US) 1978-01-17 — — US disclosed
US-3935167-A Acetylenic polymers, trimers thereof and the production thereof UNIVERSITY PATENTS, INC. (US) 1976-01-27 — — US disclosed
US-3907748-A Paracyclophane polymers and the production thereof UNIVERSITY PATENTS INC 1975-09-23 — — US disclosed
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