SCHEMBL19250163

SCHEMBL19250163

CCOCCOC(=O)C(C)(C/C=C1\CCCN1C)C(=O)OCCOCC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ THRB P10828 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ IDE P14735 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL19053497 0.85 THRB (0.30) ALDH1A1TSHRTHRB
SCHEMBL19240005 0.72 THRB (0.38) ALDH1A1TSHRTHRBKDM4EMEN1
SCHEMBL19038893 0.68 MAPT (0.45) ALDH1A1THRBKDM4EMEN1NPC1
SCHEMBL8137603 0.63 ALDH1A1 (0.58) ALDH1A1TSHRTHRB
SCHEMBL29640103 0.63 — —
SCHEMBL16021740 0.62 ALDH1A1 (0.56) ALDH1A1TSHRTHRB
SCHEMBL20012793 0.62 ALDH1A1 (0.56) ALDH1A1TSHRTHRB
SCHEMBL19240024 0.62 GLO1 (0.41) ALDH1A1KDM4EMEN1NPC1MAPT
SCHEMBL14521355 0.61 ALDH1A1 (0.54) ALDH1A1TSHRTHRB
SCHEMBL21305791 0.61 ALDH1A1 (0.54) ALDH1A1TSHRTHRBMAPT

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
US-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
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