SCHEMBL5170733

SCHEMBL5170733

COc1cccc(OC)c1C(=O)C(PC(C(=O)c1c(OC)cccc1OC)C(C)CC(C)(C)C)C(C)CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL28124929 0.83 CA12 (0.45) CA12CA1CA2CA7CA9
Phosphine SCHEMBL21980905 0.82 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL27584937 0.82 CA12 (0.44) CA12CA1CA2CA7CA9
Phosphine SCHEMBL18954422 0.81 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL303034 0.80 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL1067539 0.80 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL646308 0.80 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL28299179 0.78 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL27989514 0.75 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL6559923 0.74 CA12 (0.45) CA12CA1CA2CA7CA9

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
EP-3596177-B1 ODORLESS UV CURABLE MONOMER SOLUTION MYCONE DENTAL SUPPLY COMPANY INC (US) 2023-11-29 EP claimed
EP-0963420-B1 RADIATION-CURABLE, CYANOACRYLATE-CONTAINING COMPOSITIONS HENKEL LOCTITE CORP (US) 2007-04-25 EP claimed
EP-1578810-B1 FAST MOISTURE CURING AND UV-MOISTURE DUAL CURING COMPOSITIONS HENKEL CORP (US) 2007-03-28 EP claimed