SCHEMBL31407014

SCHEMBL31407014

CC(C)C[C@H](N)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CES1 P23141 2/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.47
ALOX12 P18054 1/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
GSK3B P49841 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL11308855 0.80 TDP1 (0.47) TSHRTDP1ALDH1A1GAAMAPT
4-Nitroaniline SCHEMBL2934038 0.79 SLC7A5 (0.53) TDP1ALDH1A1MAPT
SCHEMBL19270834 0.79 ALDH1A1 (0.48) TSHRMAPK1CES1CA1CA2
4-Nitroaniline SCHEMBL2934041 0.79 SLC7A5 (0.53) TDP1ALDH1A1MAPT
4-Nitroaniline SCHEMBL11139552 0.79 SLC7A5 (0.53) TDP1ALDH1A1MAPT
4-Nitroaniline SCHEMBL10773363 0.79 SLC7A5 (0.53) TDP1ALDH1A1MAPT
SCHEMBL16234984 0.79 MAPK1 (0.55) TSHRMAPK1CES1CA1CA2
Hydrochloric Acid SCHEMBL22639026 0.79 TDP1 (0.46) TSHRTDP1ALDH1A1GAAMAPT
SCHEMBL11036149 0.78 LMNA (0.46) TSHRALDH1A1RAB9ALMNASLC6A2
SCHEMBL11036148 0.78 LMNA (0.46) TSHRALDH1A1RAB9ALMNASLC6A2

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-119193761-A Test paper and method for semi-quantitatively detecting leucine aminopeptidase 广州达安基因股份有限公司 2024-12-27 CN disclosed