SCHEMBL28362500

SCHEMBL28362500

CCOC(=O)CCc1ccc(C(C)(C)C)cc1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAPK1 P28482 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39

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
SCHEMBL28362496 0.89 CYP4F2 (0.47) CYP4F2CYP4A11GAAALDH1A1HSP90AA1
SCHEMBL28362401 0.82 CYP4F2 (0.53) CYP4F2CYP4A11GAAALDH1A1TSHR
SCHEMBL6720225 0.81 CYP4F2 (0.54) CYP4F2CYP4A11GAAALDH1A1TSHR
SCHEMBL28366037 0.81 CYP4F2 (0.49) CYP4F2CYP4A11GAAALDH1A1TSHR
SCHEMBL4625676 0.79 TSHR (0.56) CYP4F2CYP4A11GAAALDH1A1HSP90AA1
SCHEMBL14874417 0.78 CYP4F2 (0.47) CYP4F2CYP4A11GAAALDH1A1MEN1
SCHEMBL305273 0.78 CYP4F2 (0.44) CYP4F2CYP4A11GAAALDH1A1MAPT
SCHEMBL9723717 0.77 CYP4F2 (0.67) CYP4F2CYP4A11GAAALDH1A1TSHR
SCHEMBL164673 0.76 TSHR (0.52) GAAALDH1A1TSHRMAPTCYP2C9
SCHEMBL4888029 0.75 CYP4F2 (0.68) CYP4F2CYP4A11GAAMAPTCYP2C9

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-104854141-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2020-03-10 CN disclosed