SCHEMBL818751

SCHEMBL818751

COC(=O)C1=CC=C(C)CC=C1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.36
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CHRM3 P20309 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
IDO1 P14902 1/20 0.33
LMNA P02545 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
THRB P10828 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL818392 0.81 CA12 (0.42) CA1CA2CA12CA7CA9
SCHEMBL817720 0.80 CA12 (0.41) CA1CA2CA12CA7CA9
SCHEMBL24861114 0.80 PTPN1 (0.31) PTPN1CA1CA2CA12CA7
SCHEMBL817802 0.78 ALDH1A1 (0.42) CA1CA2CA12CA7CA9
SCHEMBL818718 0.75 TSHR (0.47) TDP1LMNATSHRMAPTCYP3A4
SCHEMBL10937960 0.72 CHRM3 (0.45) CA1CA2CA12CA7CA9
SCHEMBL817805 0.69 CRHBP (0.44) CA1CA2CA12CA7CA9
SCHEMBL819613 0.69 CHRM3 (0.42) CA1CA2CA12CA7CA9
SCHEMBL22193614 0.68 CYP3A4 (0.32) CYP3A4ACHE
SCHEMBL17049960 0.65 CHRM3 (0.40) PTPN1CA1CA2CA12CA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed