SCHEMBL7895061

SCHEMBL7895061

C=C(C)C(=O)Sc1ccccc1S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 3/20 0.35
HDAC8 Q9BY41 1/20 0.35
HPGD P15428 1/20 0.34
MDM4 O15151 4/20 0.33
TP53 P04637 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MDM2 Q00987 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CETP P11597 1/20 0.32
LMNA P02545 1/20 0.32
XBP1 P17861 1/20 0.32

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
SCHEMBL1803486 0.86 CA12 (0.44) CA12CA1CA2CA4CA7
SCHEMBL2209411 0.81 CA12 (0.40) CA12CA1CA2CA4CA7
SCHEMBL4908186 0.79 CA12 (0.39) CA12CA1CA2CA4CA7
SCHEMBL27233193 0.77 CA12 (0.36) CA12CA1CA2CA4CA7
SCHEMBL27642231 0.76 ACHE (0.47) CA12CA1CA2CA4CA7
SCHEMBL4830564 0.75 ALDH1A1 (0.40) CA12CA1CA2CA4CA7
SCHEMBL9446514 0.75 SIRT1 (0.46) CA12CA1CA2CA4CA7
SCHEMBL7077223 0.74 CA12 (0.34) CA12CA1CA2CA4CA7
SCHEMBL5826496 0.73 CA12 (0.33) CA12CA1CA2CA4CA7
SCHEMBL544810 0.72 HPGD (0.44) CA12CA1CA2CA4CA7

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
WO-2023162777-A1 COMPOUND, CURABLE RESIN COMPOSITION, CURED PRODUCT, DIFFRACTION OPTICAL ELEMENT, AND AUGMENTED REALITY GLASSES 富士フイルム株式会社 2023-08-31 WO disclosed
US-6184323-B1 FOR OPHTHALMIC LENSES ESSILOR INTERNATIONAL-COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-02-06 US disclosed