SCHEMBL20624958

SCHEMBL20624958

CC(C)(C)OC(=O)C1CCC(C(=O)CC(=O)O)CO1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.35
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22050982 0.84 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1MAPT
SCHEMBL20624780 0.83 BTK (0.42) BTKKMT2AHRH3SMN1; SMN2
SCHEMBL21987653 0.78 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPT
SCHEMBL16097219 0.75 CHRM2 (0.39) BTKMAPTHRH3SMN1; SMN2
SCHEMBL7870788 0.70 MAPK1 (0.38) BTKALDH1A1MAPTHRH3SMN1; SMN2
SCHEMBL7870784 0.70 MAPK1 (0.38) BTKALDH1A1MAPTHRH3SMN1; SMN2
SCHEMBL21987420 0.70 BTK (0.48) BTKKMT2A
SCHEMBL20311078 0.69 CTSK (0.38) KMT2AMEN1ALDH1A1MAPT
SCHEMBL16118126 0.69 CTSK (0.38) KMT2AMEN1ALDH1A1MAPT
SCHEMBL16118132 0.69 CTSK (0.38) KMT2AMEN1ALDH1A1MAPT

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
WO-2019001420-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2019-01-03 — — WO disclosed
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