SCHEMBL29862145

SCHEMBL29862145

COc1cc(O)cc(CCc2ccc(O)cc2)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 7/20 0.86
GABRA1 P14867 1/20 0.70
GABRG2 P18507 1/20 0.70
GABRB3 P28472 1/20 0.70
GABRA3 P34903 1/20 0.70
GABRA2 P47869 1/20 0.70
GABRB2 P47870 1/20 0.70
PTPN1 P18031 2/20 0.69
NOS2 P35228 1/20 0.69
LTA4H P09960 1/20 0.64
PTGS2 P35354 2/20 0.62
AKR1B1 P15121 2/20 0.59
CYP19A1 P11511 2/20 0.58
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
ALOX5 P09917 2/20 0.51
TTR P02766 1/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1B1 Q16678 1/20 0.51
PTGES O14684 1/20 0.49

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
SCHEMBL16568144 1.00 CALM1 (0.86) CALM1GABRA1GABRG2GABRB3GABRA3
SCHEMBL27254011 0.93 CALM1 (1.00) CALM1GABRA1GABRG2GABRB3GABRA3
SCHEMBL4735081 0.92 CALM1 (0.73) CALM1GABRA1GABRG2GABRB3GABRA3
SCHEMBL11504762 0.87 GABRA1 (0.78) CALM1GABRA1GABRG2GABRB3GABRA3
SCHEMBL20179619 0.86 CALM1 (0.65) CALM1GABRA1GABRG2GABRB3GABRA3
SCHEMBL30514717 0.85 CALM1 (0.86) CALM1GABRA1GABRG2GABRB3GABRA3
SCHEMBL30451939 0.83 CALM1 (0.81) CALM1GABRA1GABRG2GABRB3GABRA3
SCHEMBL12018280 0.82 CALM1 (0.60) CALM1GABRA1GABRG2GABRB3GABRA3
Batatasin Iii SCHEMBL29629601 0.82 GABRA1 (1.00) CALM1GABRA1GABRG2GABRB3GABRA3
SCHEMBL30574244 0.82 GABRA1 (0.87) CALM1GABRA1GABRG2GABRB3GABRA3

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
US-20250113855-A1 HYDRATING AND REHYDRATING COMPOSITOIN AND PRODUCT IV THOUGHT PRODUCTS AND DESIGN CORP. 2025-04-10 US disclosed
CN-118901892-A Application of pterostilbene in preparation of ruminant rumen methane inhibitor 中国农业科学院饲料研究所 2024-11-08 CN disclosed
WO-2022187973-A1 DOSING REGIMENS OF PHARMACEUTICAL AND NUTRACEUTICAL MUSHROOM AND CANNABIS COMPOSITIONS AND THEIR USE TO TREAT CNS DISORDERS AND IMPROVE MENTAL HEALTH ALLIED CORP. (CA) 2022-09-15 WO disclosed