SCHEMBL30225792

SCHEMBL30225792

NCCOCCOCCOc1ccc2ccc(=O)oc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 11/20 0.69
▸ CA9 Q16790 11/20 0.69
▸ CA1 P00915 10/20 0.69
▸ CA6 P23280 5/20 0.65
▸ CA7 P43166 5/20 0.65
▸ CA14 Q9ULX7 5/20 0.65
▸ CA4 P22748 5/20 0.65
▸ CA5B Q9Y2D0 3/20 0.65
▸ CA2 P00918 3/20 0.65
▸ CA5A P35218 3/20 0.65
▸ CA3 P07451 3/20 0.65
▸ CYP1A2 P05177 1/20 0.60
▸ MAOB P27338 7/20 0.59
▸ MAOA P21397 6/20 0.59
▸ MTNR1A P48039 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53

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
SCHEMBL15941000 1.00 CA12 (0.69) CA12CA9CA1CA6CA7
Hydrochloric Acid SCHEMBL31460532 0.90 CA12 (0.75) CA12CA9CA1CA6CA7
SCHEMBL12304245 0.88 CA12 (0.81) CA12CA9CA1CA6CA7
SCHEMBL30225705 0.86 CA12 (0.65) CA12CA9CA1CA6CA7
SCHEMBL15941352 0.86 CA12 (0.65) CA12CA9CA1CA6CA7
SCHEMBL15941116 0.86 CA12 (0.65) CA12CA9CA1CA6CA7
SCHEMBL28590898 0.85 CA12 (0.73) CA12CA9CA1CA6CA7
SCHEMBL23835565 0.84 CA12 (0.71) CA12CA9CA1CA6CA7
SCHEMBL30013432 0.84 CA12 (0.71) CA12CA9CA1CA6CA7
SCHEMBL28427152 0.84 CA12 (0.71) CA12CA9CA1CA6CA7

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
EP-4121464-A1 A BIO-INK FOR 3D PRINTING, RELATED CONJUGATE AND PREPARATION PROCESS OF AN INTERMEDIATE CONSISTING OF A PHOTOREACTIVE LINKER Fidia Farmaceutici S.p.A. (IT) 2023-01-25 — — EP disclosed
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