SCHEMBL29021865

SCHEMBL29021865

C=CCC1C(=O)OC(=O)C1CCCC=CCC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
PRSS1 P07477 2/20 0.32
CTRC Q99895 2/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL860633 0.85 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL31377052 0.82 PRSS1 (0.38) ALDH1A1TSHRPRSS1CTRCF2
SCHEMBL31377056 0.82 PRSS1 (0.38) ALDH1A1TSHRPRSS1CTRCF2
SCHEMBL19441206 0.78 PRSS1 (0.40) ALDH1A1PRSS1CTRCF2
SCHEMBL15954944 0.78 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL15672438 0.76 PRSS1 (0.46) ALDH1A1PRSS1CTRCF2
SCHEMBL29212861 0.73 TSHR (0.44) ALDH1A1TSHR
SCHEMBL15955183 0.71 ALDH1A1 (0.51) ALDH1A1TSHR
SCHEMBL4561309 0.70 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL16543530 0.68 AKR1C4 (0.35) ALDH1A1TSHR

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-112789284-B Metal oxide complex and method for producing same RIMTEC株式会社 2023-06-27 CN disclosed