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SCHEMBL6901745

SCHEMBL6901745

CC(C)(C)c1ccc(-c2cccc3c2C=C(c2ccc(-c4ccccc4)o2)C3[Hf]C2C(c3ccc(-c4ccccc4)o3)=Cc3c(-c4ccc(C(C)(C)C)cc4)cccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.36
▸ ERCC5 P28715 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ EGFR P00533 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
SCHEMBL6905102 0.88 BRD4 (0.31) S1PR1
SCHEMBL6897870 0.85 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6898596 0.84 NQO2 (0.36) NQO2ERCC5FEN1S1PR1CHRM2
Hydrochloric Acid SCHEMBL6904726 0.83 NQO2 (0.35) NQO2ERCC5FEN1S1PR1CHRM2
Hydrochloric Acid SCHEMBL6899226 0.83 NQO2 (0.35) NQO2ERCC5FEN1S1PR1CHRM2
Hydrochloric Acid SCHEMBL6903464 0.83 NQO2 (0.35) NQO2ERCC5FEN1S1PR1CHRM2
SCHEMBL6904755 0.83 — —
SCHEMBL7122880 0.76 TRPV1 (0.39) S1PR1
SCHEMBL29273199 0.73 NQO2 (0.55) NQO2ERCC5FEN1S1PR1EGFR
SCHEMBL28574931 0.73 BRD4 (0.32) S1PR1

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-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 — — EP claimed