SCHEMBL31238432

SCHEMBL31238432

Cc1cc(=O)c2c3c(c4c(c2o1)C=CC(C)(C)O4)C=CC(C)(C)O3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA7 P43166 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA13 Q8N1Q1 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SOAT2 O75908 2/20 0.36
▸ SOAT1 P35610 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ BCL2 P10415 1/20 0.35
▸ MCL1 Q07820 1/20 0.35

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
SCHEMBL3776665 0.82 PDE4D (0.39) PDE4DALDH1A1L3MBTL1CA12CA1
SCHEMBL3776057 0.79 PDE4D (0.36) PDE4DALDH1A1L3MBTL1CA12CA1
SCHEMBL3774880 0.79 PDE4D (0.36) PDE4DALDH1A1L3MBTL1CA12CA1
SCHEMBL3775888 0.77 PDE4D (0.35) PDE4DALDH1A1L3MBTL1CYP3A4SOAT2
SCHEMBL3774171 0.77 ALDH1A1 (0.38) PDE4DALDH1A1L3MBTL1CA12CA1
SCHEMBL3777532 0.77 ALDH1A1 (0.43) PDE4DALDH1A1L3MBTL1CA12CA1
SCHEMBL3783870 0.73 PDE4D (0.34) PDE4DALDH1A1L3MBTL1CA12CA9
SCHEMBL3774669 0.73 ALDH1A1 (0.40) PDE4DALDH1A1L3MBTL1CA12CA1
SCHEMBL15989623 0.72 ALDH1A1 (0.47) PDE4DALDH1A1CA12CA1CA7
SCHEMBL12244547 0.66 PDE4D (0.45) PDE4DALDH1A1L3MBTL1CA12CA1

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-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
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