SCHEMBL17903564

SCHEMBL17903564

Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 15/20 0.53
▸ CA1 P00915 14/20 0.53
▸ CA12 O43570 7/20 0.53
▸ USP2 O75604 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ PLEC Q15149 1/20 0.50
▸ CA2 P00918 13/20 0.49
▸ DNASE1L3 Q13609 1/20 0.49
▸ PRMT1 Q99873 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALPL P05186 1/20 0.46
▸ ALPI P09923 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ CA14 Q9ULX7 2/20 0.45
▸ CA7 P43166 1/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 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
SCHEMBL17903993 0.86 CA9 (0.48) CA9CA1CA12USP2MEN1
SCHEMBL15143773 0.83 USP2 (0.53) CA9CA1CA12USP2MEN1
SCHEMBL12909301 0.81 USP2 (0.68) CA9CA1CA12USP2MEN1
SCHEMBL17210588 0.79 USP2 (0.50) CA9CA1CA12USP2MEN1
SCHEMBL16181495 0.79 CA9 (0.67) CA9CA1CA12USP2MEN1
SCHEMBL14211562 0.79 CA9 (0.44) CA9CA1CA12USP2MEN1
SCHEMBL10030600 0.78 USP2 (0.64) CA9CA1CA12USP2MEN1
SCHEMBL17971015 0.77 DNASE1L3 (0.65) CA9CA1CA12USP2MEN1
SCHEMBL14932585 0.77 USP2 (0.63) CA9CA1CA12USP2MEN1
SCHEMBL12909280 0.77 MEN1 (0.59) CA9CA1CA12USP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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