SCHEMBL21697463

SCHEMBL21697463

O=Cc1ccc(C(F)F)c(Oc2ccc(OCCOC3CCOCC3)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
ALDH1A1 P00352 7/20 0.36
MAPT P10636 3/20 0.35
FDPS P14324 1/20 0.34
AOC2 O75106 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.33
TTR P02766 1/20 0.32
SLC5A2 P31639 1/20 0.31
ADRB2 P07550 2/20 0.30
ADRB1 P08588 2/20 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
SCHEMBL17888632 0.82 HRH2 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL17888615 0.82 PDE4D (0.38) AOC2
SCHEMBL17931460 0.82 PDE4D (0.40) ALDH1A1MAPT
SCHEMBL21697493 0.76 ATF4 (0.36) HPGDALDH1A1MAPTFDPSSMN1; SMN2
SCHEMBL17888612 0.75 PDE4D (0.39)
SCHEMBL31364354 0.72 HPGD (0.52) HPGDALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL17899128 0.72 PDE4D (0.37) ALDH1A1SMN1; SMN2
SCHEMBL17888597 0.72 PDE4D (0.37) ALDH1A1SMN1; SMN2
SCHEMBL17888594 0.72 PDE4D (0.37) ALDH1A1SMN1; SMN2
SCHEMBL21697491 0.69 CYSLTR2 (0.35) HPGDALDH1A1MAPTSMN1; SMN2NPC1

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-3607944-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR Kyoto Pharmaceutical Industries, Ltd. (JP) 2020-02-12 EP disclosed