SCHEMBL13862559

SCHEMBL13862559

CBc1ccc(-c2ccc(I)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ CYP1A1 P04798 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL12332974 0.92 — —
SCHEMBL2069523 0.76 METAP2 (0.42) APPMETAP2HDAC8
SCHEMBL75931 0.76 METAP2 (0.42) APPMETAP2HDAC8
SCHEMBL66792 0.76 METAP2 (0.42) APPMETAP2HDAC8
SCHEMBL14492415 0.76 ALDH1A1 (0.50) CYP1A1CYP1A2
SCHEMBL9925867 0.76 ACHE (0.44) —
SCHEMBL14643579 0.76 ALDH1A1 (0.50) CYP1A1CYP1A2
SCHEMBL12334415 0.74 ALDH1A1 (0.48) METAP2
Water SCHEMBL9600645 0.73 METAP2 (0.40) APPMETAP2CYP1A1CYP1A2HDAC8
Water SCHEMBL9600843 0.73 METAP2 (0.40) APPMETAP2CYP1A1CYP1A2HDAC8

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
WO-2009067419-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-28 — — WO disclosed
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