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Sugi Predict / Compounds / SCHEMBL5712971

SCHEMBL5712971

SCHEMBL5712971

Cc1cc(C)c(N2[C]N(c3c(C)cc(C)cc3C)C(I)(I)C2=Cc2ccccc2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL5712915 0.85 NPC1 (0.32) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL2967977 0.68 NPC1 (0.32) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL5607080 0.65 NPC1 (0.34) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL13238425 0.63 MAPT (0.39) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL919718 0.63 CYP1A2 (0.38) ALDH1A1MAPTHPGD
SCHEMBL919716 0.63 CYP1A2 (0.38) ALDH1A1MAPTHPGD
SCHEMBL2968787 0.63 ACHE (0.31) —
SCHEMBL13238426 0.62 MAPT (0.39) NPC1ALDH1A1MAPTHPGDRAB9A
SCHEMBL18191220 0.59 ALDH1A1 (0.37) ALDH1A1MAPTHPGD
SCHEMBL19206356 0.58 CYP1A2 (0.33) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673328-A2 AN IMPROVED PROCESS FOR THE SYNTHESIS OF UNSATURATED ALCOHOLS Dow Global Technologies Inc. (US) 2006-06-28 — — EP disclosed
WO-2005040077-A2 AN IMPROVED PROCESS FOR THE SYNTHESIS OF UNSATURATED ALCOHOLS DOW GLOBAL TECHNOLOGIES INC. (US) 2005-05-06 — — WO disclosed