SCHEMBL30158161

SCHEMBL30158161

O=C(OC1CCCOC12CCCO2)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CHRM2 P08172 2/20 0.42
▸ CHRM4 P08173 2/20 0.42
▸ CHRM1 P11229 2/20 0.42
▸ CHRM3 P20309 2/20 0.42
▸ CHRNA7 P36544 2/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ SLC18A3 Q16572 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ABCB1 P08183 2/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL30158279 0.86 RAB9A (0.38) KMT2AMEN1
SCHEMBL30158196 0.86 MAPT (0.42) KMT2ATSHRGAA
SCHEMBL30158002 0.85 ALDH1A1 (0.43) KMT2AGAAABCB1
SCHEMBL30158119 0.85 KMT2A (0.49) KMT2AMEN1GAAHPGD
SCHEMBL30158191 0.83 ALDH1A1 (0.51) GAAABCB1HPGD
SCHEMBL30158277 0.82 HPGD (0.45) KMT2AMEN1HPGD
SCHEMBL30157998 0.82 MAPT (0.42) KMT2AMEN1TSHR
SCHEMBL30158090 0.82 GAA (0.40) KMT2ATSHRGAAHPGD
SCHEMBL30158057 0.82 KMT2A (0.40) KMT2AMEN1HPGD
SCHEMBL30158275 0.81 KMT2A (0.34) KMT2AMEN1GAAHPGD

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-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 — — WO disclosed
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