SCHEMBL28366135

SCHEMBL28366135

CCOC(=O)CCc1cc(Cl)ccc1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.49
CYP4A11 Q02928 3/20 0.49
MAPK1 P28482 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL28366037 0.89 CYP4F2 (0.49) CYP4F2CYP4A11MAPK1CA12CA1
SCHEMBL10487681 0.87 FLT1 (0.52) CYP4F2CYP4A11MAPK1CA12CA1
SCHEMBL10517001 0.85 MAPK1 (0.48) CYP4F2CYP4A11MAPK1CA12CA1
SCHEMBL28366080 0.85 CYP4F2 (0.51) CYP4F2CYP4A11MAPK1CA12CA1
SCHEMBL10487630 0.85 MAPK1 (0.52) CYP4F2CYP4A11MAPK1CA12CA1
SCHEMBL27565708 0.84 CYP4F2 (0.50) CYP4F2CYP4A11MAPK1CA12CA1
SCHEMBL6720225 0.83 CYP4F2 (0.54) CYP4F2CYP4A11MAPK1CA12CA1
SCHEMBL21465435 0.83 TSHR (0.49) CYP4F2CYP4A11MAPK1CA12CA1
SCHEMBL15740348 0.81 CYP4F2 (0.50) CYP4F2CYP4A11ALOX15TSHRTDP1
SCHEMBL27176866 0.81 CYP4F2 (0.66) CYP4F2CYP4A11TSHRKMT2AMEN1

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