SCHEMBL19638580

SCHEMBL19638580

O=CC1C=CC=CC1(O)OCCCOCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
TEAD3 Q99594 2/20 0.36
NAAA Q02083 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KCNA3 P22001 1/20 0.33
KCNA5 P22460 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GBA1 P04062 2/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4757678 0.87 KMT2A (0.35) EPHX2L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL5289688 0.70 ALDH1A1 (0.36) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL6710688 0.70 TSHR (0.32) ALDH1A1TSHRMEN1KMT2A
SCHEMBL8621469 0.69 TSHR (0.70) TEAD3NAAAL3MBTL1TSHRTDP1
SCHEMBL20305579 0.69 TSHR (0.48) TEAD3NAAAL3MBTL1TSHRKCNA3
SCHEMBL710282 0.68 TSHR (0.52) EPHX2TEAD3NAAAL3MBTL1TSHR
SCHEMBL6263416 0.68 TSHR (0.52) EPHX2TEAD3NAAAL3MBTL1TSHR
SCHEMBL26189830 0.67 TSHR (0.67) TEAD3NAAAL3MBTL1TSHRTDP1
SCHEMBL713499 0.67 TSHR (0.50) EPHX2TEAD3NAAAL3MBTL1TSHR
SCHEMBL97850 0.67 TSHR (0.50) EPHX2TEAD3NAAAL3MBTL1ALDH1A1

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-2164331-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2017-11-29 EP disclosed