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SCHEMBL6683276

SCHEMBL6683276

CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC1=Cc2c(-c3ccccc3)cccc2C1[Zr]1(C2C(C)=Cc3c(-c4ccccc4)cccc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALOX5 P09917 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL6680667 0.88 PTPN5 (0.34) PTPN5HSP90AA1
SCHEMBL7117057 0.88 CNR1 (0.32) CYP2C9
SCHEMBL7206278 0.84 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5187746 0.84 CYP2D6 (0.32) —
SCHEMBL6434202 0.81 ALDH1A1 (0.33) —
SCHEMBL7046629 0.81 CHRNB2 (0.35) —
Hydrochloric Acid SCHEMBL6039867 0.81 — —
Hydrochloric Acid SCHEMBL6063831 0.80 CHRNB2 (0.34) —
SCHEMBL7205074 0.78 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL6434163 0.77 BRD4 (0.34) —

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-1294734-B1 METHOD FOR THE SELECTIVE PRODUCTION OF RACEMIC METALLOCENE COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2004-05-19 — — EP disclosed