SCHEMBL9856448

SCHEMBL9856448

CC(C)(C)CC(CCO)OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 4/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL822526 0.89 TSHR (0.52) TSHRTP53MEN1KMT2AALDH1A1
SCHEMBL1073074 0.83 PRKCA (0.51) TSHRTP53MEN1KMT2AALDH1A1
SCHEMBL5842303 0.81 MEN1 (0.51) TSHRTP53MEN1KMT2AALDH1A1
SCHEMBL7658084 0.80 MEN1 (0.38) TSHRTP53MEN1KMT2AALDH1A1
SCHEMBL27555506 0.78 PDCD1 (0.48) TSHRTP53MEN1KMT2AALDH1A1
SCHEMBL27865285 0.78 TSHR (0.47) TSHRTP53MEN1KMT2AALDH1A1
SCHEMBL14569202 0.78 ALDH1A1 (0.62) TSHRTP53MEN1KMT2AALDH1A1
SCHEMBL27533109 0.77 MEN1 (0.44) TSHRTP53MEN1KMT2AALDH1A1
SCHEMBL1787176 0.77 KMT2A (0.50) TSHRTP53MEN1KMT2AALDH1A1
Benzoic Acid SCHEMBL1311679 0.77 TSHR (0.46) TSHRTP53MEN1KMT2AALDH1A1

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
EP-0416822-A2 Stain-resistant plasticizer compositions and method of making same VELSICOL CHEMICAL CORPORATION (US) 1991-03-13 EP claimed