SCHEMBL23905170

SCHEMBL23905170

CC(CCO)C(C)[C@H](C)N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 5/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
GABBR2 O75899 1/20 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
SCHEMBL20200719 0.82
SCHEMBL22332871 0.82
SCHEMBL20200726 0.82
SCHEMBL20200130 0.82
SCHEMBL20200727 0.82
SCHEMBL13766645 0.77 ALDH1A1 (0.32) ALDH1A1TSHRTDP1ALOX15
SCHEMBL1053033 0.77 ALDH1A1 (0.32) ALDH1A1TSHRTDP1ALOX15
SCHEMBL120801 0.77
SCHEMBL16538719 0.76 TRPV1 (0.39) TRPV1TRPA1ALDH1A1GABRPGABRD
SCHEMBL18650833 0.76

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-2021201577-A1 HMG-COA REDUCTASE DEGRADATION INDUCING COMPOUND UPPTHERA (KR) 2021-10-07 WO disclosed