SCHEMBL29201843

SCHEMBL29201843

C1CC2CCC12.CN=C=O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
CASP1 P29466 1/20 0.60
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL22325673 0.85 TSHR (0.50) TSHRCASP1ALDH1A1
SCHEMBL2765 0.78
SCHEMBL28124906 0.78
SCHEMBL409470 0.75 TSHR (0.53) TSHRCASP1ALDH1A1
Cyclopropane SCHEMBL28687940 0.74
Cyclohexane SCHEMBL28947641 0.74 TSHR (0.75) TSHRCASP1ALDH1A1
Cyclohexane SCHEMBL3761116 0.74 TSHR (0.75) TSHRCASP1ALDH1A1
Cyclohexane SCHEMBL1930585 0.74 TSHR (0.75) TSHRCASP1ALDH1A1
SCHEMBL31500732 0.73
SCHEMBL1502365 0.73

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
CN-117962720-A Vehicle seat component 普罗普里特公司 2024-05-03 CN disclosed