SCHEMBL21476541

SCHEMBL21476541

CC(C)(C)[C@H]1CC[C@H](OO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 3/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LIPA P38571 1/20 0.34
GAA P10253 2/20 0.34
GLA P06280 1/20 0.32
EPHX2 P34913 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL2719576 1.00 MAPT (0.41) MAPTMEN1KMT2AHTTAPOBEC3A
Bicarbonate SCHEMBL679005 0.91 MAPT (0.44) MAPTMEN1KMT2AHTTAPOBEC3A
Bicarbonate SCHEMBL35810 0.91 MAPT (0.44) MAPTMEN1KMT2AHTTAPOBEC3A
Bicarbonate SCHEMBL2763274 0.91 MAPT (0.44) MAPTMEN1KMT2AHTTAPOBEC3A
SCHEMBL4552150 0.78 MAPT (0.39) MAPTMEN1KMT2AHTTAPOBEC3A
SCHEMBL6382164 0.78 MAPT (0.39) MAPTMEN1KMT2AHTTAPOBEC3A
SCHEMBL5615220 0.76 EPHX1 (0.42) MAPTMEN1KMT2AHTTAPOBEC3A
SCHEMBL14271879 0.76
SCHEMBL22797 0.76
SCHEMBL5270433 0.76

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-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 EP disclosed