SCHEMBL31424892

SCHEMBL31424892

C[C@H](NCCN)C(=O)OCCO

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
GABRR1 P24046 2/20 0.32
HSD17B10 Q99714 1/20 0.32
GGT1 P19440 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL31504042 0.86 HSD17B10 (0.41) ACHEALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL11379622 0.81 METAP2 (0.40) ALDH1A1HSD17B10
SCHEMBL16929673 0.81 EPHX1 (0.43) ACHETSHR
SCHEMBL27552415 0.80 GABRR1 (0.37) GABRR1GGT1
Hydrochloric Acid SCHEMBL3139882 0.79 METAP2 (0.39) ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL3817674 0.79 METAP2 (0.39) ALDH1A1HSD17B10
SCHEMBL31424917 0.79 ACHE (0.39) ACHEALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL31424894 0.79 ACHE (0.40) ACHEALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL15802693 0.76 HSD17B10 (0.39) ACHEALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL20370104 0.74 ALDH1A1 (0.35) ACHEALDH1A1TSHR

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
CN-119431707-A Light-transmitting material 华为技术有限公司 2025-02-14 CN disclosed