SCHEMBL12469140

SCHEMBL12469140

O=C(O)C1(C(=O)NC2CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
EPHX2 P34913 2/20 0.38
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
EPHX1 P07099 5/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MME P08473 1/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL28524385 0.90 EPHX1 (0.50) POLBEPHX2MMP2MMP8HPGD
SCHEMBL12469141 0.88 EPHX2 (0.42) POLBEPHX2MMP2MMP8HPGD
SCHEMBL28515431 0.80 EPHX2 (0.37) POLBEPHX2MMP2MMP8HPGD
SCHEMBL27006607 0.73 EPHX2 (0.51) POLBEPHX2HPGDLMNAEPHX1
SCHEMBL24307260 0.72 HPGD (0.44) POLBEPHX2MMP2MMP8HPGD
SCHEMBL12469142 0.71 MAPT (0.33) POLBEPHX2HPGDMAPT
SCHEMBL30673977 0.71 EPHX1 (0.54) EPHX2MMP2MMP8HPGDEPHX1
SCHEMBL13667376 0.71 EPHX1 (0.48) EPHX2MMP2MMP8HPGDEPHX1
SCHEMBL28668886 0.70 HDAC4 (0.38) MMP8
SCHEMBL12020314 0.70 HPGD (0.46) POLBEPHX2MMP2MMP8HPGD

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
WO-2012047017-A2 2,3-DIHYDRO-ISOINDOL-1-ONE DERIVATIVE AND A COMPOSITION COMPRISING THE SAME 크리스탈지노믹스(주) (KR) 2012-04-12 WO disclosed