SCHEMBL30628260

SCHEMBL30628260

CCOC(=O)C(F)(F)c1c(F)cccc1OCC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ GAA P10253 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ GLA P06280 1/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ TAAR1 Q96RJ0 2/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KCNK3 O14649 1/20 0.38
▸ KCNK9 Q9NPC2 1/20 0.38

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
SCHEMBL30628254 1.00 L3MBTL1 (0.42) L3MBTL1GAALMNATSHRALDH1A1
SCHEMBL17420722 1.00 L3MBTL1 (0.42) L3MBTL1GAALMNATSHRALDH1A1
SCHEMBL31306437 0.88 NLRP3 (0.44) L3MBTL1GAALMNATSHRALDH1A1
SCHEMBL30628235 0.85 L3MBTL1 (0.45) L3MBTL1GAAALDH1A1POLBGLA
SCHEMBL17420636 0.85 L3MBTL1 (0.45) L3MBTL1GAAALDH1A1POLBGLA
SCHEMBL12489524 0.77 EGLN1 (0.36) GAALMNATSHRALDH1A1POLB
SCHEMBL27176522 0.76 TSHR (0.39) L3MBTL1LMNATSHRALDH1A1POLB
SCHEMBL12385967 0.75 L3MBTL1 (0.51) L3MBTL1GAAALDH1A1POLBGLA
SCHEMBL17420524 0.75 PIN1 (0.43) L3MBTL1GAALMNATSHRALDH1A1
SCHEMBL14722051 0.75 NLRP3 (0.41) L3MBTL1GAALMNATSHRALDH1A1

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-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 — — CN disclosed
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