SCHEMBL9836044

SCHEMBL9836044

COC(=O)CC(C)C(O)c1cccc(C=Cc2ccc3ccccc3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 13/20 0.61
CYSLTR1 Q9Y271 13/20 0.61
GLA P06280 1/20 0.47
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9836037 1.00 CYSLTR2 (0.61) CYSLTR2CYSLTR1GLALMNAKDM4E
SCHEMBL9835817 0.81 CYSLTR2 (0.62) CYSLTR2CYSLTR1GLALMNAKDM4E
SCHEMBL9835823 0.81 CYSLTR2 (0.62) CYSLTR2CYSLTR1GLALMNAKDM4E
SCHEMBL10763329 0.79 CYSLTR2 (0.64) CYSLTR2CYSLTR1GLALMNAKDM4E
SCHEMBL9835508 0.76 CYSLTR2 (0.60) CYSLTR2CYSLTR1GLALMNAKDM4E
SCHEMBL9835518 0.76 CYSLTR2 (0.60) CYSLTR2CYSLTR1GLALMNAKDM4E
SCHEMBL10402523 0.76 CYSLTR2 (1.00) CYSLTR2CYSLTR1GLALMNAKDM4E
SCHEMBL10402525 0.76 CYSLTR2 (1.00) CYSLTR2CYSLTR1GLALMNAKDM4E
SCHEMBL8305465 0.74 CYSLTR2 (0.64) CYSLTR2CYSLTR1GLALMNAKDM4E
SCHEMBL8305462 0.74 CYSLTR2 (0.64) CYSLTR2CYSLTR1GLALMNAKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219308-B1 2-SUBSTITUTED QUINOLINES MERCK FROSST CANADA INC. (CA) 1991-10-23 EP claimed
EP-0219308-B1 2-SUBSTITUTED QUINOLINES MERCK FROSST CANADA INC. (CA) 1991-10-23 EP disclosed
EP-0220873-A1 Fused bicyclic imides with psychotropic activity AMERICAN HOME PRODUCTS CORPORATION (US) 1987-05-06 EP disclosed