SCHEMBL28968933

SCHEMBL28968933

CCOCC(=COC)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 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
SCHEMBL7897943 1.00 ALDH1A1 (0.32) ALDH1A1TSHRKDM4EPOLB
SCHEMBL1985647 0.82 NPSR1 (0.39) ALDH1A1TSHRPOLB
SCHEMBL1284863 0.82 NPSR1 (0.39) ALDH1A1TSHRPOLB
SCHEMBL9259007 0.78
SCHEMBL3260220 0.77 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL28059763 0.74 HDAC3 (0.40) ALDH1A1TSHR
SCHEMBL14502388 0.73 ATM (0.34) ALDH1A1TSHRKDM4E
SCHEMBL13178313 0.72
SCHEMBL7868955 0.72 KDM4E (0.32) ALDH1A1KDM4EPOLB
SCHEMBL2153017 0.72 ALDH1A1 (0.30) ALDH1A1

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-115666553-A TLR2 modulator compounds, and pharmaceutical compositions and uses thereof 轴向治疗公司 2023-01-31 CN disclosed