SCHEMBL15219220

SCHEMBL15219220

C=C(C)C(=O)OCc1cc(C)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TACR1 P25103 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
SCHEMBL13962722 0.89 KMT2A (0.43) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1466758 0.83 KDM4E (0.54) MEN1KMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL22176800 0.81 MEN1 (0.37) MEN1KMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL3409621 0.80 MAOB (0.50) MEN1KMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL19624572 0.79 MEN1 (0.37) MEN1KMT2AALDH1A1HSD17B10TSHR
SCHEMBL19804224 0.79 PTGER4 (0.40) MEN1KMT2A
SCHEMBL14944765 0.79 TSHR (0.47) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL1730149 0.78 MEN1 (0.38) MEN1KMT2AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL19804346 0.78 FFAR4 (0.40) MEN1KMT2AKDM4EALDH1A1HSD17B10
Bicarbonate SCHEMBL29173094 0.77 MAOB (0.48) MEN1KMT2AL3MBTL1SMN1; SMN2KDM4E

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-2463714-B1 Basic compound, chemically amplified resist composition and patterning process SHINETSU CHEMICAL CO (JP) 2013-08-28 EP disclosed