SCHEMBL8810255

SCHEMBL8810255

COc1cc(CN2CCC(CCS(C)(=O)=O)(C(F)c3ccccc3)C2=O)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HCRTR1 O43613 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL8318836 0.89 MAPK1 (0.39) ALDH1A1MAPK1KDM4EHTTMEN1
SCHEMBL7961446 0.80 HRH1 (0.44) ALDH1A1MAPK1KDM4EHTTMEN1
SCHEMBL7958360 0.79 MEN1 (0.40) ALDH1A1MAPK1KDM4EHTTMEN1
SCHEMBL8319786 0.77 MAPK1 (0.43) ALDH1A1MAPK1MEN1KMT2AHCRTR1
SCHEMBL7947370 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL7947626 0.74 KDM4E (0.39) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL7956429 0.73 MEN1 (0.39) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL7627714 0.72 MAPK1 (0.41) ALDH1A1MAPK1KDM4EHTTMEN1
SCHEMBL7954527 0.71 KDM4E (0.41) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL6998325 0.71 HRH1 (0.45) ALDH1A1MAPK1KDM4EHTTMEN1

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-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed