SCHEMBL25751406

SCHEMBL25751406

C=C(C)C(=O)C(C)CC(C)C(=O)C(=C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.33
TGFBR1 P36897 1/20 0.31
CA2 P00918 1/20 0.31
CA1 P00915 2/20 0.30

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
SCHEMBL15025844 0.90 TSHR (0.41) TSHRTDP1ALDH1A1CA2CA1
SCHEMBL19472114 0.90 TSHR (0.41) TSHRTDP1ALDH1A1CA2CA1
SCHEMBL18265596 0.81
SCHEMBL13361506 0.81
SCHEMBL13460878 0.81
SCHEMBL3194358 0.77 SLC22A6 (0.36) TSHRTDP1ALDH1A1TGFBR1CA2
SCHEMBL6220584 0.75 TSHR (0.34) TSHRTDP1CA1
SCHEMBL4183817 0.75 TSHR (0.34) TSHRTDP1
SCHEMBL15386601 0.74 CA1 (0.52) TSHRCA2CA1
Hydrochloric Acid SCHEMBL29278201 0.74 MAPT (0.45) TSHRALDH1A1

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
US-20230203214-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-06-29 US disclosed