SCHEMBL18826319

SCHEMBL18826319

C#CC1(OC(=O)C(C)(C)C)c2ccccc2-c2c1ccc1ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
WDR5 P61964 1/20 0.35
SLC22A12 Q96S37 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SOS1 Q07889 1/20 0.33
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARD Q03181 1/20 0.32
PDK2 Q15119 2/20 0.32
DNMT1 P26358 1/20 0.31
NSD2 O96028 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL9610322 0.83 MAPT (0.35) MAPTMEN1KMT2ANPSR1WDR5
SCHEMBL19771520 0.81 NSD2 (0.36) MAPTMEN1KMT2ANPSR1WDR5
SCHEMBL19335202 0.80 ELANE (0.36) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL19771480 0.78 DNMT1 (0.35) MAPTMEN1KMT2ANPSR1WDR5
SCHEMBL19771481 0.78 MEN1 (0.36) MAPTMEN1KMT2ANPSR1WDR5
SCHEMBL18826317 0.77 SLC22A12 (0.34) MAPTMEN1KMT2ANPSR1WDR5
SCHEMBL19771523 0.76 SLC22A12 (0.34) MAPTMEN1KMT2ANPSR1WDR5
SCHEMBL24603050 0.73 TDP1 (0.39) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL13126133 0.71 ALDH1A1 (0.38) MAPTALDH1A1PDK2KDM4E
SCHEMBL346859 0.69 MAPT (0.43) MAPTMEN1KMT2ANPSR1WDR5

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-9645498-B2 Developer and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-09 US disclosed