SCHEMBL28907458

SCHEMBL28907458

Cc1ccc(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2)c(-c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1I2 O75469 4/20 0.40
TSHR P16473 1/20 0.39
APEX1 P27695 1/20 0.38
ENPP1 P22413 3/20 0.38
ENPP3 O14638 2/20 0.38
HSD17B2 P37059 2/20 0.37
CA12 O43570 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL6780888 0.84 KIF11 (0.47) CA2CA1CA9MEN1ALDH1A1
SCHEMBL6308258 0.81 LMNA (0.44) CA2CA1CA9LMNAALDH1A1
SCHEMBL5608505 0.79 TSHR (0.44) LMNAALDH1A1MAPTNR1I2TSHR
SCHEMBL31469861 0.78 CA1 (0.45) CA2CA1CA9LMNAMEN1
SCHEMBL2990067 0.75 MEN1 (0.62) CA2CA1CA9MEN1ALDH1A1
Hydrogen Sulfide SCHEMBL15618664 0.74 MEN1 (0.61) CA2CA1CA9MEN1ALDH1A1
Iodide SCHEMBL29092642 0.74 MEN1 (0.61) CA2CA1CA9MEN1ALDH1A1
SCHEMBL30124576 0.71 POLB (0.58) CA2CA1CA9LMNAMEN1
SCHEMBL28530317 0.71 ALKBH3 (0.52) LMNAMEN1ALDH1A1MAPTKMT2A
SCHEMBL16583377 0.71 CA1 (0.50) CA2CA1CA9MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117999325-A Ultraviolet-initiated adhesive compositions of (meth) acrylic-epoxy resins and adhesive-containing articles 3M创新有限公司 2024-05-07 CN disclosed
CN-111094493-B Printable curable mixtures and cured compositions 3M创新有限公司 2022-11-04 CN disclosed