SCHEMBL11536623

SCHEMBL11536623

CC(C)C(C(=O)O)N1CCc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
KDM4E B2RXH2 4/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
HRH3 Q9Y5N1 2/20 0.50
GABRA1 P14867 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
NOTUM Q6P988 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ACE P12821 2/20 0.47
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
KCNH2 Q12809 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL9442654 0.89 MEN1 (0.47) MAPTKDM4ELMNAALDH1A1TSHR
SCHEMBL3476351 0.84 MAPT (0.65) MAPTKDM4ELMNAALDH1A1TSHR
SCHEMBL3719812 0.78 KDM4E (0.54) MAPTKDM4ELMNAALDH1A1TSHR
SCHEMBL4828036 0.77 KDM4E (0.50) MAPTKDM4ELMNAALDH1A1TSHR
SCHEMBL12230334 0.76 MAPT (0.55) MAPTKDM4ELMNAALDH1A1TSHR
SCHEMBL2949227 0.76 LMNA (0.58) MAPTKDM4ELMNAALDH1A1TSHR
SCHEMBL30561536 0.76 MAOA (0.57) MAPTKDM4ELMNAALDH1A1TSHR
SCHEMBL1083820 0.76 MAOA (0.57) MAPTKDM4ELMNAALDH1A1TSHR
SCHEMBL11543450 0.74 L3MBTL1 (0.47) HRH3GABRA1GABRG2GABRB3
SCHEMBL30225649 0.74 MEN1 (0.50) MAPTKDM4ELMNAALDH1A1TSHR

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
US-4178293-A Isoindolinyl derivatives ZOECON CORPORATION (US) 1979-12-11 US disclosed