SCHEMBL28075408

SCHEMBL28075408

O=C(O)CC(CC(=O)O)(OC(=O)c1ccccc1)C(=O)O.[NaH].[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
KMT2A Q03164 3/20 0.46
HIF1A Q16665 2/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 3/20 0.45
F2 P00734 1/20 0.45
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 4/20 0.42
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.39
PPARG P37231 1/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
NR4A2 P43354 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1289443 1.00 TDP1 (0.46) TDP1KMT2AHIF1AMAPK1SLC6A2
Hydrochloric Acid SCHEMBL18584396 0.98 TDP1 (0.44) TDP1KMT2AHIF1AMAPK1SLC6A2
SCHEMBL2071064 0.98 TDP1 (0.47) TDP1KMT2AHIF1AMAPK1SLC6A2
SCHEMBL2852476 0.84 LMNA (0.49) TDP1KMT2AMAPK1SLC6A2LMNA
SCHEMBL793901 0.84 CYP2C19 (0.44) TDP1KMT2AHIF1AMAPK1SLC6A2
SCHEMBL8966541 0.80 TDP1 (0.46) TDP1HIF1AMAPK1LMNACYP2C19
SCHEMBL3485285 0.80 TDP1 (0.51) TDP1KMT2AHIF1ALMNACYP2C19
SCHEMBL15253427 0.80 CYP2D6 (0.55) TDP1KMT2AHIF1AMAPK1SLC6A2
SCHEMBL420490 0.80 TDP1 (0.47) TDP1KMT2AHIF1AMAPK1SLC6A2
SCHEMBL793900 0.79 ALDH1A1 (0.51) KMT2AHIF1ACYP2C19CYP1A2TSHR

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-105602919-A Method for improving capacity of Trichoderma reesei in producing cellulase by using RNA interference technology FEED RES INST CAAS 2016-05-25 CN disclosed