SCHEMBL26773180

SCHEMBL26773180

CC(C)N(CC(=O)O)C(=O)CCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPC1 O15118 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ TSHR P16473 2/20 0.38
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GABRP O00591 2/20 0.32
▸ GABRD O14764 2/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB1 P18505 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32

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
SCHEMBL9099266 0.87 ALDH1A1 (0.39) ALDH1A1LMNATP53SMN1; SMN2NPC1
SCHEMBL26779098 0.78 MEN1 (0.35) LMNATSHRKMT2AMEN1GABRP
SCHEMBL9835163 0.75 TDP1 (0.36) LMNATSHRKMT2AMEN1TDP1
SCHEMBL226149 0.72 — —
SCHEMBL23544769 0.71 EPHX2 (0.36) KMT2AMEN1GABRPGABRDGABRA1
SCHEMBL20427851 0.71 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL8881391 0.70 TSHR (0.43) ALDH1A1LMNATP53SMN1; SMN2NPC1
SCHEMBL20187495 0.70 HSD17B10 (0.39) ALDH1A1KMT2AMEN1POLBKDM4E
SCHEMBL19318549 0.70 TSHR (0.39) ALDH1A1LMNASMN1; SMN2TSHRKMT2A
SCHEMBL17666082 0.69 ALDH1A1 (0.31) ALDH1A1NPSR1

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-2023215559-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ARIA PHARMACEUTICALS, INC. (US) 2023-11-09 — — WO disclosed
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