SCHEMBL8302191

SCHEMBL8302191

CC(C)Oc1cccc(CC(=O)N2CCCC(CCS(C)(=O)=O)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PPARA Q07869 1/20 0.42
EED O75530 1/20 0.42
PKM P14618 2/20 0.42
HTT P42858 1/20 0.42
BRS3 P32247 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL7954954 0.80 OPRK1 (0.42) KDM4ENPC1GAAMEN1KMT2A
SCHEMBL29790470 0.75 PPARA (0.54) POLBALDH1A1PPARA
SCHEMBL7954472 0.74 UTS2R (0.48)
SCHEMBL8308100 0.73 TACR1 (0.61)
SCHEMBL8807008 0.72 MEN1 (0.42) POLBALDH1A1KDM4EGAALMNA
SCHEMBL7947193 0.68 HRH1 (0.56)
SCHEMBL9027580 0.68 TACR2 (0.49)
SCHEMBL25139677 0.66 ALDH1A1 (0.59) POLBL3MBTL1ALDH1A1KDM4ERAB9A
SCHEMBL12384538 0.66 ALDH1A1 (0.59) POLBL3MBTL1ALDH1A1KDM4ERAB9A
SCHEMBL13826659 0.66 SIGMAR1 (0.60) POLBL3MBTL1ALDH1A1KDM4ERAB9A

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-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed