SCHEMBL10689975

SCHEMBL10689975

CCCOc1ccc(C(=O)C=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.65
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ ABCG2 Q9UNQ0 2/20 0.60
▸ CYP1A1 P04798 1/20 0.55
▸ CYP1B1 Q16678 1/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PLA2G4B P0C869 2/20 0.50
▸ GAA P10253 1/20 0.49

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
SCHEMBL10992160 0.91 ABCG2 (0.58) PLK1L3MBTL1ABCG2MEN1KMT2A
SCHEMBL28402209 0.88 TP53 (0.69) ABCG2TP53TSHRPLA2G4BGAA
SCHEMBL28980597 0.88 TP53 (0.69) ABCG2TP53TSHRPLA2G4BGAA
SCHEMBL10990486 0.88 TP53 (0.69) ABCG2TP53TSHRPLA2G4BGAA
Water SCHEMBL7212248 0.87 TP53 (0.67) ABCG2TP53TSHRPLA2G4BGAA
Water SCHEMBL7207837 0.87 TP53 (0.67) ABCG2TP53TSHRPLA2G4BGAA
SCHEMBL3039297 0.85 PLK1 (0.62) PLK1ABCG2KMT2AMAPTPLA2G4B
SCHEMBL9786100 0.84 GAA (0.59) PLK1L3MBTL1ABCG2MAPTMAPK1
SCHEMBL5108830 0.82 L3MBTL1 (0.46) PLK1L3MBTL1ABCG2MAPTMAPK1
SCHEMBL6341040 0.81 L3MBTL1 (0.68) PLK1L3MBTL1KMT2ATP53TSHR

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-0252406-A2 Process for the manufacture of polycyclic compounds BAYER AG (DE) 1988-01-13 — — EP disclosed
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