SCHEMBL28560684

SCHEMBL28560684

CC1CCC(C)(C(=O)C2(C)CCC(C)C2(C)C)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL16386157 0.84 P2RX7 (0.36) P2RX7ALDH1A1LMNAPOLBNPSR1
SCHEMBL30405641 0.84 P2RX7 (0.36) P2RX7ALDH1A1LMNAPOLBNPSR1
SCHEMBL2799717 0.84 ALDH1A1 (0.49) P2RX7ALDH1A1LMNAPOLBNPSR1
SCHEMBL16383078 0.79 P2RX7 (0.36) P2RX7ALDH1A1LMNAPOLBNPSR1
SCHEMBL16383072 0.79 P2RX7 (0.36) P2RX7ALDH1A1LMNAPOLBNPSR1
SCHEMBL16383079 0.79 P2RX7 (0.36) P2RX7ALDH1A1LMNAPOLBNPSR1
SCHEMBL8936800 0.76 ALDH1A1 (0.36) P2RX7ALDH1A1
SCHEMBL13753979 0.74 P2RX7 (0.40) P2RX7ALDH1A1LMNAPOLBNPSR1
SCHEMBL4635770 0.74 ALDH1A1 (0.41) P2RX7ALDH1A1LMNAPOLBNPSR1
SCHEMBL887673 0.70 FFAR3 (0.39) ALDH1A1LMNAPOLBNPSR1L3MBTL1

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-112723978-A Preparation process of tetramethylcyclopentadiene 山东京博中聚新材料有限公司 2021-04-30 CN disclosed