SCHEMBL6912804

SCHEMBL6912804

CCOC(=O)c1cc(CC)c(Cl)cc1C(=O)OCCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
ALOX15 P16050 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
ESR1 P03372 1/20 0.39
KMT2A Q03164 2/20 0.38
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRB2 P47870 1/20 0.37
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL4627190 1.00 CYP4F2 (0.40) CYP4F2CYP4A11BAZ2BBAZ2AALOX15
SCHEMBL4626026 0.96 ESR1 (0.41) ESR1KMT2AGABRA1GABRB1GABRA3
SCHEMBL4628530 0.92 ESR1 (0.48) ESR1KMT2ATSHRTDP1L3MBTL1
SCHEMBL4627856 0.92 ESR1 (0.48) ESR1KMT2ATSHRTDP1L3MBTL1
SCHEMBL4625675 0.92 CYP4F2 (0.43) CYP4F2CYP4A11BAZ2BBAZ2AALOX15
SCHEMBL4626656 0.91 TSHR (0.42) ESR1KMT2AGABRA1GABRB1GABRA3
SCHEMBL6910174 0.90 TSHR (0.42) ALOX15CA1CA2CA12CA9
SCHEMBL4628682 0.88 CYP4F2 (0.41) CYP4F2CYP4A11BAZ2BBAZ2AALOX15
SCHEMBL4628042 0.88 CYP4F2 (0.41) CYP4F2CYP4A11BAZ2BBAZ2AALOX15
SCHEMBL4627445 0.86 TSHR (0.39) ALOX15CA1CA2CA12CA9

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
US-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US disclosed