SCHEMBL10267233

SCHEMBL10267233

COc1cc(C(=O)NC(C)(C)COc2cccc3nc(C)c(I4OCO4)c(N)c23)ccc1OCCO

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 9/20 0.37
▸ MAPT P10636 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL620885 0.85 SCD (0.38) SCDMAPTALDH1A1MEN1KMT2A
SCHEMBL621050 0.83 MAPT (0.40) SCDMAPTALDH1A1MEN1KMT2A
SCHEMBL31670265 0.83 MAPT (0.40) SCDMAPTALDH1A1MEN1KMT2A
SCHEMBL620900 0.82 SCD (0.39) SCDMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10250650 0.82 MAPT (0.42) SCDMAPTALDH1A1MEN1KMT2A
SCHEMBL627249 0.81 MEN1 (0.37) SCDMAPTALDH1A1MEN1KMT2A
SCHEMBL620499 0.80 KDM4E (0.40) SCDMAPTALDH1A1KDM4EHPGD
SCHEMBL618152 0.80 MAPT (0.38) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL10251225 0.79 MAPT (0.42) SCDMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL627405 0.79 SMPD1 (0.38) SCDMAPTMEN1KMT2AKDM4E

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-2012021837-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 — — WO disclosed
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