SCHEMBL26238521

SCHEMBL26238521

CCC(CC)NC(=O)C(C)(C)N1CCN(c2cccc(C)c2C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.56
▸ MAPT P10636 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ TSHR P16473 4/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ REV1 Q9UBZ9 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HTR2A P28223 1/20 0.43

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
SCHEMBL26238502 0.84 ALDH1A1 (0.55) LMNAMAPTALDH1A1TSHRMAPK1
SCHEMBL26238503 0.82 ALDH1A1 (0.53) LMNAMAPTALDH1A1TSHRMAPK1
SCHEMBL26238519 0.82 MAPT (0.53) LMNAMAPTALDH1A1TSHRMAPK1
SCHEMBL26238505 0.81 LMNA (0.50) LMNAMAPTALDH1A1TSHRMAPK1
SCHEMBL26238620 0.81 ALDH1A1 (0.52) LMNAMAPTALDH1A1TSHRMAPK1
SCHEMBL26238518 0.81 ALDH1A1 (0.52) LMNAMAPTALDH1A1TSHRMAPK1
SCHEMBL26238618 0.80 ALDH1A1 (0.51) LMNAMAPTALDH1A1TSHRMAPK1
SCHEMBL26238622 0.79 LMNA (0.48) LMNAMAPTALDH1A1TSHRMAPK1
SCHEMBL25392645 0.78 RAB9A (0.60) LMNAMAPTALDH1A1TSHRMAPK1
SCHEMBL25390175 0.78 ALDH1A1 (0.61) LMNAMAPTALDH1A1TSHRMAPK1

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-2023172415-A1 SWEETENER COMPOSITIONS FIRMENICH INCORPORATED (US) 2023-09-14 — — WO disclosed
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