SCHEMBL29092272

SCHEMBL29092272

CCC(=O)OCC(=O)OC(=O)CC.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
WRN Q14191 1/20 0.39
HIF1A Q16665 1/20 0.39
GAA P10253 3/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
RECQL P46063 1/20 0.36
PAM P19021 2/20 0.34
POLB P06746 1/20 0.33
TRPA1 O75762 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL27998899 0.97 NAAA (0.44) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL11521887 0.83 ALDH1A1 (0.61) NAAAALDH1A1CYP1A2PAMPOLB
SCHEMBL20772013 0.83 ALDH1A1 (0.68) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL2128603 0.83 ALDH1A1 (0.56) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL7631690 0.83 ALDH1A1 (0.56) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL9084820 0.82 ALDH1A1 (0.43) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL2946772 0.82 ALDH1A1 (0.48) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL27614964 0.80 ALDH1A1 (0.41) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL21798888 0.80 ALDH1A1 (0.53) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL9276 0.80

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-111089973-B Detection kit for bovine vesicular stomatitis and preparation method thereof 霸州市砚创科技有限公司 2023-10-27 CN disclosed