SCHEMBL9722628

SCHEMBL9722628

O=C(CC(CO)OC(=O)c1ccccc1)OCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
TP53 P04637 1/20 0.47
PRKCA P17252 1/20 0.47
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 3/20 0.41
F2 P00734 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CYP2D6 P10635 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL872053 0.84 TSHR (0.59) TSHRTP53PRKCAALDH1A1TDP1
SCHEMBL28278024 0.82 MEN1 (0.51) TSHRTP53ALDH1A1TDP1KMT2A
SCHEMBL3181495 0.80 ALDH1A1 (0.61) TSHRTP53PRKCAALDH1A1TDP1
SCHEMBL29964300 0.80 ALDH1A1 (0.61) TSHRTP53PRKCAALDH1A1TDP1
SCHEMBL5080030 0.78 MEN1 (0.49) TSHRTP53ALDH1A1KMT2AMEN1
SCHEMBL10062937 0.78 TSHR (0.52) TSHRTP53PRKCAALDH1A1TDP1
Ethylene SCHEMBL19616645 0.77 ALDH1A1 (0.57) TSHRTP53PRKCAALDH1A1TDP1
SCHEMBL3417176 0.77 MEN1 (0.60) TSHRTP53PRKCAALDH1A1TDP1
SCHEMBL17557410 0.76 PRKCA (0.49) TSHRTP53PRKCAALDH1A1TDP1
SCHEMBL5086221 0.76 LMNA (0.47) TSHRTP53PRKCAALDH1A1KMT2A

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
US-5122560-A A curable polyesterurethane having a carboxy-containing diol as a monomer; automobile finishes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-16 US claimed