SCHEMBL30829414

SCHEMBL30829414

CC(C=O)Cc1cccc2c1COCO2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
TAAR1 Q96RJ0 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL29231330 1.00 TP53 (0.33) TP53TSHRTAAR1SLC6A2SLC6A4
SCHEMBL19500892 0.78 GABRA1 (0.38) TP53TSHRSLC6A2
SCHEMBL4208995 0.78 KDM4C (0.40) TAAR1SLC6A2SLC6A4SLC6A3NPSR1
SCHEMBL31634143 0.74 ABCG2 (0.39) TSHR
SCHEMBL9666927 0.74 ABCG2 (0.33)
SCHEMBL9667815 0.73 MTNR1A (0.33)
SCHEMBL28778284 0.72 ABCG2 (0.37)
SCHEMBL7394171 0.72 PNMT (0.40) TAAR1
SCHEMBL28778285 0.72 ABCG2 (0.37)
SCHEMBL30874548 0.72 PNMT (0.40) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111050856-B Methods for identifying positive allosteric modulators of odorant receptors 弗门尼舍有限公司 2024-12-31 CN disclosed
CN-112566890-B Epoxy ether compounds as perfuming ingredients 弗门尼舍有限公司 2024-09-06 CN disclosed
CN-118415168-A Antimicrobial compositions 弗门尼舍有限公司 2024-08-02 CN disclosed
CN-114586782-B Antimicrobial compositions 弗门尼舍有限公司 2024-04-12 CN disclosed
CN-111417373-B Hair dyeing composition comprising microcapsules 弗门尼舍有限公司 2024-04-12 CN disclosed