SCHEMBL7201111

SCHEMBL7201111

COc1ccc2c(c1)Cc1c-2ccc(OC)c1[Zr](Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
ACHE P22303 1/20 0.41
TDP2 O95551 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABCB1 P08183 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL7201286 0.85 ABCB1 (0.40) METAP1CA1CA2CA4CA6
SCHEMBL7201371 0.82 KDM4E (0.49) ALDH1A1DRD2DRD1DRD5DRD3
Hydrochloric Acid SCHEMBL7201109 0.77 METAP1 (0.45) METAP1CA1CA2CA4CA6
SCHEMBL11384031 0.75 MPO (0.46) METAP1CA1CA2CA4CA6
SCHEMBL4581239 0.74 METAP1 (0.63) METAP1CA1CA2CA4CA6
SCHEMBL30777630 0.74 METAP1 (0.63) METAP1CA1CA2CA4CA6
SCHEMBL12922754 0.71 METAP1 (0.56) METAP1CA1CA2CA4CA6
SCHEMBL10692197 0.71 METAP1 (0.56) METAP1CA1CA2CA4CA6
SCHEMBL33527391 0.70 CA1 (0.50) METAP1CA1CA2CA4CA6
SCHEMBL26780002 0.70 CA1 (0.50) METAP1CA1CA2CA4CA6

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-0942006-B1 Catalyst for olefin polymer production and process for olefin polymer production employing the catalyst TOSOH CORP (JP) 2003-06-04 EP disclosed