SCHEMBL28847637

SCHEMBL28847637

CC(=O)OC(=O)CCN.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
PAOX Q6QHF9 1/20 0.36
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGS1 P23219 1/20 0.30

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
SCHEMBL5433574 0.97
Acetic Acid SCHEMBL27600268 0.93 ALDH1A1 (0.41) ALDH1A1TSHRCYP1A2HSD17B10TDP1
SCHEMBL9861711 0.84 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL27533403 0.84 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL5813282 0.83 CYP1A2 (0.56) ALDH1A1TSHRCYP1A2HSD17B10TDP1
SCHEMBL12538257 0.81 CYP1A2 (0.54) ALDH1A1TSHRCYP1A2HSD17B10TDP1
SCHEMBL17433647 0.81 CYP1A2 (0.54) ALDH1A1TSHRCYP1A2HSD17B10TDP1
SCHEMBL6048039 0.81 ALDH1A1 (0.50) ALDH1A1TSHRCYP1A2PAOXLMNA
SCHEMBL35205 0.81 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL19816433 0.79 PAOX (0.58) ALDH1A1TSHRCYP1A2PAOXLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093284-A Amino acid water-soluble fertilizer 贵州中盛石化有限公司 2022-09-23 CN claimed
CN-115093284-A Amino acid water-soluble fertilizer 贵州中盛石化有限公司 2022-09-23 CN disclosed