SCHEMBL29690478

SCHEMBL29690478

CCOC(=O)C(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.45
CA14 Q9ULX7 4/20 0.45
ESR1 P03372 8/20 0.42
ESR2 Q92731 4/20 0.42
AR P10275 3/20 0.42
HSD17B2 P37059 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TTR P02766 1/20 0.40
DPP4 P27487 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL10426561 1.00 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL31131463 0.89 KDM4E (0.42) CA12CA1CA2CA7CA9
SCHEMBL1395563 0.89 KDM4E (0.42) CA12CA1CA2CA7CA9
SCHEMBL11687720 0.85 CHRM1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL417815 0.84 MT-CO2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL31011021 0.78 TDP1 (0.45) ESR1ESR2ARTDP1SMN1; SMN2
SCHEMBL31011020 0.78 TDP1 (0.45) ESR1ESR2ARTDP1SMN1; SMN2
SCHEMBL1395571 0.78 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL831043 0.78 TDP1 (0.45) ESR1ESR2ARTDP1SMN1; SMN2
SCHEMBL27965740 0.78 L3MBTL1 (0.49)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4277947-A1 STABILIZER COMPOSITION FOR SILYL-MODIFIED POLYMER SEALANTS Clariant International Ltd (CH) 2023-11-22 EP disclosed
WO-2022152668-A1 STABILIZER COMPOSITION FOR SILYL-MODIFIED POLYMER SEALANTS CLARIANT INTERNATIONAL LTD (CH) 2022-07-21 WO disclosed