SCHEMBL22492932

SCHEMBL22492932

COc1cccc(OC)c1C(=O)P(C(=O)c1c(OC)cccc1OC)c1cc(C)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.40
ATM Q13315 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNK3 O14649 2/20 0.38
KCNK9 Q9NPC2 2/20 0.38
KCNMA1 Q12791 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3790325 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL20484283 0.79 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL9120992 0.79 ALDH1A1 (0.39) RAB9AGAAKMT2AMEN1MAPT
SCHEMBL4716254 0.78 MAPT (0.48) CA12CA1CA2CA7CA9
SCHEMBL17923177 0.75 ABCB1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL11124004 0.74 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL3412204 0.72 HCRTR1 (0.41) NPC1RAB9AGAAKMT2AMEN1
SCHEMBL11126977 0.72 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL28011613 0.72 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL7865371 0.71 CA12 (0.58) 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-4018993-A1 DENTAL RESTORATION COMPOSITE RESIN GC Corporation (JP) 2022-06-29 EP disclosed
EP-3865110-A1 DENTAL RESTORATION COMPOSITE RESIN GC Corporation (JP) 2021-08-18 EP disclosed
EP-3719043-A1 (METH)ACRYLATE, MONOMER COMPOSITION, DENTAL MATERIAL OBTAINED FROM SAID COMPOSITION, AND PRODUCTION METHOD THEREOF Mitsui Chemicals, Inc. (JP) 2020-10-07 EP disclosed