SCHEMBL24239672

SCHEMBL24239672

CC1CC(NC(=O)OCCCCCO)CC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.41
PPP1CA P62136 1/20 0.41
ACHE P22303 6/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX1 P07099 2/20 0.38
TSHR P16473 1/20 0.36
NAAA Q02083 2/20 0.35

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
SCHEMBL31093929 0.86 ALDH1A1 (0.48) ALDH1A1HTTLMNAPPP1CAACHE
SCHEMBL9343577 0.77 ALDH1A1 (0.58) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL13227481 0.76 ACHE (0.42) HTTACHEGAAMAPK1SMN1; SMN2
SCHEMBL22111948 0.72 GAA (0.56) HTTACHEGAAMAPK1SMN1; SMN2
SCHEMBL19976050 0.72 ALDH1A1 (0.52) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL14296414 0.71 ALDH1A1 (0.63) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL1555269 0.70 ALDH1A1 (0.61) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL1555271 0.70 ALDH1A1 (0.61) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL1555270 0.70 ALDH1A1 (0.61) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL2024842 0.70 ALDH1A1 (0.61) ALDH1A1HTTLMNAPPP1CATDP1

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-20220037695-A1 COMPOSITION FOR POLYMER ELECTROLYTE AND LITHIUM SECONDARY BATTERY INCLUDING POLYMER ELECTROLYTE PREPARED THEREFROM LG CHEM, LTD. (KR) 2022-02-03 US disclosed