SCHEMBL27482765

SCHEMBL27482765

CCC(=O)OCC(c1ccccc1)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SLC6A3 Q01959 9/20 0.47
▸ SLC6A2 P23975 5/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL27467638 0.86 SLC6A3 (0.48) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL27865159 0.85 KMT2A (0.53) MEN1KMT2ASLC6A3SLC6A2CYP3A4
SCHEMBL27465658 0.84 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL11548405 0.84 KMT2A (0.55) MEN1KMT2ASLC6A3SLC6A2CYP3A4
SCHEMBL27483137 0.83 KMT2A (0.38) MEN1KMT2ASLC6A3SLC6A2CHRM2
SCHEMBL27483477 0.83 KDM4E (0.41) MEN1KMT2ASLC6A3
SCHEMBL27482391 0.82 SLC6A3 (0.48) MEN1KMT2ASLC6A3LMNA
SCHEMBL27407428 0.80 TSHR (0.50) MEN1KMT2ASLC6A3SLC6A2CYP3A4
SCHEMBL27661415 0.79 PKM (0.57) MEN1KMT2ASLC6A3SLC6A2CYP3A4
SCHEMBL29706736 0.79 MEN1 (0.52) MEN1KMT2ASLC6A3SLC6A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1151140-C Glucokinase activators - 2004-05-26 — — CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN disclosed
Send feedback