SCHEMBL27214686

SCHEMBL27214686

C=C(C)C(=O)OC(N)Cc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 4/20 0.49
▸ CA1 P00915 4/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA5A P35218 2/20 0.49
▸ ALDH1A1 P00352 9/20 0.47
▸ KDM4E B2RXH2 8/20 0.47
▸ GLA P06280 4/20 0.47
▸ GAA P10253 4/20 0.47
▸ IGLV6-57 P01721 1/20 0.47
▸ HPGD P15428 7/20 0.46
▸ HSD17B10 Q99714 6/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CA12 O43570 4/20 0.44
▸ AR P10275 3/20 0.44
▸ MAOB P27338 3/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL27214679 0.80 CA9 (0.49) CA9CA1CA2CA5AALDH1A1
SCHEMBL3245747 0.80 CA9 (0.56) CA9CA1CA2CA5AALDH1A1
SCHEMBL17439480 0.78 CA1 (0.47) CA9CA1CA2CA5AALDH1A1
SCHEMBL13726250 0.76 ALDH1A1 (0.64) ALDH1A1KDM4EGLAGAAIGLV6-57
SCHEMBL30862481 0.73 ALDH1A1 (0.75) CA9CA2ALDH1A1KDM4EGLA
SCHEMBL7920869 0.73 ALDH1A1 (0.75) CA9CA2ALDH1A1KDM4EGLA
SCHEMBL27214680 0.73 CA9 (0.49) CA9CA1CA2CA5AALDH1A1
SCHEMBL25283723 0.72 CA9 (0.56) CA9CA1CA2CA5AALDH1A1
SCHEMBL8515319 0.72 CA9 (0.62) CA9CA1CA2CA5AALDH1A1
SCHEMBL7917181 0.71 ALDH1A1 (0.60) ALDH1A1KDM4EGLAGAAIGLV6-57

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
WO-2024081563-A1 PHOTO-SWITCHABLE CHEMISTRY FOR REVERSIBLE HYDROGELS AND REUSABLE FLOW CELLS ILLUMINA, INC. (US) 2024-04-18 — — WO claimed
US-20240150508-A1 PHOTO-SWITCHABLE CHEMISTRY FOR REVERSIBLE HYDROGELS AND REUSABLE FLOW CELLS ILLUMINA, INC. (US) 2024-05-09 — — US disclosed
WO-2024081563-A1 PHOTO-SWITCHABLE CHEMISTRY FOR REVERSIBLE HYDROGELS AND REUSABLE FLOW CELLS ILLUMINA, INC. (US) 2024-04-18 — — WO disclosed
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