SCHEMBL7930433

SCHEMBL7930433

C1=C(c2ccccc2)C([Zr]2(C3C(c4ccccc4)=Cc4ccccc43)CC2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP19A1 P11511 1/20 0.32
CFTR P13569 1/20 0.32
GOPC Q9HD26 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
SCHEMBL7206931 0.81 GSTP1 (0.34) CYP11B1CYP11B2CYP19A1
SCHEMBL7203683 0.74 KDM1A (0.35) CYP11B2
SCHEMBL814928 0.74 HTR2C (0.32) CYP11B1CYP11B2CYP19A1
SCHEMBL9390177 0.73 HTR2C (0.31) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL2590368 0.73 HTR2C (0.33) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8614076 0.72 CYP19A1 (0.31) CYP11B1CYP11B2CYP19A1CFTRGOPC
Chloromethane SCHEMBL3679117 0.71 HTR2C (0.30) CYP11B1CYP11B2
SCHEMBL27448383 0.71 ALDH1A1 (0.33) CYP11B1CYP11B2CYP19A1CFTRGOPC
Iodide SCHEMBL1539609 0.69 ALDH1A1 (0.32) CYP11B1CYP11B2CYP19A1CFTRGOPC
Hydrochloric Acid SCHEMBL1539598 0.69 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1CFTRGOPC

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-1153938-A1 CATALYST FOR STEREOREGULAR POLYMERIZATION OF ALPHA-OLEFIN AND PROCESS FOR PRODUCING STEREOREGULAR ALPHA-OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-14 EP disclosed