SCHEMBL28608672

SCHEMBL28608672

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL23652660 0.89
SCHEMBL5439775 0.89
SCHEMBL5439770 0.89
SCHEMBL18684039 0.89
SCHEMBL19047426 0.78 ALDH1A1 (0.40) ALDH1A1TSHRALOX15RECQLHSD17B10
SCHEMBL20324359 0.78
SCHEMBL18407085 0.78
SCHEMBL5599864 0.78
SCHEMBL14406058 0.74 ALDH1A1 (0.36) ALDH1A1TSHRTP53ALOX15RECQL
SCHEMBL6201058 0.74 ALDH1A1 (0.33) ALDH1A1TSHRALOX15RECQLHSD17B10

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
CN-113271793-A Water-soluble flavor composition, preparation method and application method thereof 伊比西(北京)植物药物技术有限公司 2021-08-17 CN claimed
CN-113271793-A Water-soluble flavor composition, preparation method and application method thereof 伊比西(北京)植物药物技术有限公司 2021-08-17 CN disclosed