SCHEMBL30628235

SCHEMBL30628235

CCOc1cccc(F)c1C(F)(F)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 2/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ HCRTR1 O43613 3/20 0.39
▸ HCRTR2 O43614 2/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ CMA1 P23946 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC16A3 O15427 1/20 0.37
▸ SLC16A1 P53985 1/20 0.37

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
SCHEMBL17420636 1.00 L3MBTL1 (0.45) L3MBTL1GLAGAAPTGS1PTGS2
SCHEMBL17420722 0.85 L3MBTL1 (0.42) L3MBTL1GLAGAAPTGS1PTGS2
SCHEMBL30628254 0.85 L3MBTL1 (0.42) L3MBTL1GLAGAAPTGS1PTGS2
SCHEMBL30628260 0.85 L3MBTL1 (0.42) L3MBTL1GLAGAAPTGS1PTGS2
SCHEMBL15647322 0.78 CES1 (0.44) ALDH1A1
SCHEMBL12385967 0.77 L3MBTL1 (0.51) L3MBTL1GLAGAAPTGS1PTGS2
SCHEMBL17420741 0.76 GLA (0.53) L3MBTL1GLAGAAALDH1A1MRGPRX4
SCHEMBL30628253 0.76 GLA (0.53) L3MBTL1GLAGAAALDH1A1MRGPRX4
SCHEMBL5007630 0.74 L3MBTL1 (0.50) L3MBTL1GLAGAAPTGS1PTGS2
SCHEMBL17420416 0.73 RXRA (0.42) L3MBTL1GLAPTGS1PTGS2ALDH1A1

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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