SCHEMBL23912210

SCHEMBL23912210

Cc1ccc(COC(=O)C2(C)CC3C=CC2C3)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CETP P11597 1/20 0.38
P2RX7 Q99572 3/20 0.36
HTT P42858 1/20 0.35
MMP1 P03956 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34
KDM4A O75164 1/20 0.33
KDM5A P29375 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL21895431 0.77 RAB9A (0.43) NPC1RAB9AP2RX7HTTMMP1
SCHEMBL23912192 0.77 ALDH1A1 (0.43) P2RX7SMN1; SMN2L3MBTL1
SCHEMBL2254806 0.74 ALDH1A1 (0.39) CETPP2RX7
SCHEMBL25428359 0.72 CYP2D6 (0.36) CETPP2RX7
SCHEMBL472018 0.72 P2RX7 (0.34) CETPP2RX7HTT
SCHEMBL4253408 0.72 P2RX7 (0.36) CETPP2RX7
SCHEMBL21593923 0.72 P2RX7 (0.36) CETPP2RX7
SCHEMBL201163 0.72 CYP2D6 (0.38) CETPP2RX7
SCHEMBL14628487 0.72 P2RX7 (0.36) CETPP2RX7
SCHEMBL21593883 0.71 CETP (0.35) CETPP2RX7

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
EP-3640255-B1 METHOD FOR PRODUCING SILICON COMPOUND, AND SILICON COMPOUND SHINETSU CHEMICAL CO (JP) 2021-10-13 EP disclosed