SCHEMBL29913385

SCHEMBL29913385

CCC(O)Cc1ccc(CC(O)CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.45
ESR2 Q92731 4/20 0.45
TRPA1 O75762 2/20 0.45
SLC6A4 P31645 5/20 0.39
TAAR1 Q96RJ0 3/20 0.39
SLC6A2 P23975 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL106892 0.91 ESR1 (0.59) ESR1ESR2TAAR1SLC6A2LMNA
SCHEMBL10585894 0.91 TRPA1 (0.53) ESR1ESR2TRPA1LMNA
SCHEMBL14402400 0.91 GRIN2D (0.41) ESR1ESR2TRPA1TAAR1
SCHEMBL18779904 0.91 GRIN2D (0.41) ESR1ESR2TRPA1TAAR1
SCHEMBL16067460 0.91 TRPA1 (0.53) ESR1ESR2TRPA1LMNA
SCHEMBL15178261 0.91 ESR1 (0.39) ESR1ESR2TRPA1SLC6A4TAAR1
SCHEMBL26238707 0.91 GRIN2D (0.41) ESR1ESR2TRPA1TAAR1
SCHEMBL3865414 0.89 SLC18A3 (0.42) ESR1ESR2TRPA1TAAR1
SCHEMBL10585879 0.89 SLC6A2 (0.52) SLC6A4SLC6A2
SCHEMBL15178160 0.89 SLC6A2 (0.52) SLC6A4SLC6A2

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
CN-113853304-B Reactive adhesive, laminated film, and package DIC株式会社 2024-02-13 CN disclosed
CN-113165357-B Reactive adhesive, laminate, and package DIC株式会社 2023-03-28 CN disclosed
CN-111902512-B Reactive adhesive, laminated film, and package DIC株式会社 2022-09-13 CN disclosed