SCHEMBL8369663

SCHEMBL8369663

Cc1ccc(Cc2cc(S(=O)(=O)O)c(O)cc2-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ BCL2 P10415 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PTPN1 P18031 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8368701 0.85 BACE1 (0.40) PTGS1PTGS2BACE1KMT2ACA12
SCHEMBL29058739 0.76 BACE1 (0.61) BACE1BCL2BCL2L1MEN1KMT2A
SCHEMBL8367576 0.75 BACE1 (0.54) BACE1BCL2BCL2L1MEN1KMT2A
SCHEMBL909723 0.73 MEN1 (0.46) BCL2BCL2L1MEN1POLBKMT2A
SCHEMBL10665054 0.71 CYP3A4 (0.47) BCL2BCL2L1MEN1POLBKMT2A
SCHEMBL27605511 0.70 HDAC7 (0.45) MEN1KMT2ACA12CA2LMNA
SCHEMBL3151094 0.70 HDAC7 (0.49) HSP90AA1MEN1POLBKMT2ACA12
SCHEMBL11197019 0.70 HTR7 (0.49) MAPK1KMT2ACA12CA2LMNA
SCHEMBL20893055 0.69 BCL2 (0.58) PTGS1PTGS2BACE1BCL2BCL2L1
SCHEMBL8367570 0.69 IDH1 (0.59) BCL2BCL2L1MEN1POLBKMT2A

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-0714785-B1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI CHEMICALS INC (JP) 1999-01-07 — — EP disclosed
US-5647896-A MULTIVALENT SALT OF A SALICYLIC ACID DERIVATIVE, SULFONATED PHENOL MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-15 — — US disclosed
EP-0714785-A1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-06-05 — — EP disclosed
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