SCHEMBL17904014

SCHEMBL17904014

COC(=O)c1ccc2c(c1)C1C=CC2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL18682115 0.77 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL18670723 0.77 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL27441747 0.75 CA12 (0.46) CA1CA2CA12CA7CA9
SCHEMBL11526685 0.73 CA1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL11152269 0.72 SLC6A2 (0.56) CA1CA2CA12CA7CA9
SCHEMBL10215462 0.72 SLC6A2 (0.56) CA1CA2CA12CA7CA9
SCHEMBL18311170 0.72 KLKB1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL18311174 0.72 KLKB1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL18311173 0.72 KLKB1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL18311172 0.72 KLKB1 (0.52) CA1CA2CA12CA7CA9

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-2024135609-A1 LINKER FOR NUCLEIC ACID SYNTHESIS, CARRIER, AND METHODS FOR PRODUCING SAME シンクレスト株式会社 2024-06-27 WO disclosed
WO-2016109733-A1 HIGHLY SENSITIVE DETECTION OF BIOMOLECULES USING PROXIMITY INDUCED BIOORTHOGONAL REACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-07-07 WO disclosed