SCHEMBL29065235

SCHEMBL29065235

CC(=O)NC(C(=O)O)C(C)C.O=C1CCC(=O)N1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
PLA2G2A P14555 1/20 0.36
PLA2G5 P39877 1/20 0.36
FPR2 P25090 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL193513 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL132349 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL1203937 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAGAAHPGD
Ammonia Solution, Strong SCHEMBL10483779 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAGAAHPGD
Ammonia Solution, Strong SCHEMBL10483782 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL7105559 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL8058978 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAGAAHPGD
Acetic Acid SCHEMBL482738 0.73 FFAR3 (0.39) ALDH1A1MAPTCA1POLBSLC1A2
Acetic Acid SCHEMBL21834859 0.73 FFAR3 (0.39) ALDH1A1MAPTCA1POLBSLC1A2
SCHEMBL1906466 0.72 MEN1 (0.34) ALDH1A1MAPTTHRBRECQLCA1

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-116640182-A Transdermal delivery system for polypeptides and related compounds 泰飞尔生物医药(苏州)有限公司 2023-08-25 CN disclosed