SCHEMBL12469141

SCHEMBL12469141

O=C(NC1CC1)C1(C(=O)NC2CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
HPGD P15428 1/20 0.39
EPHX1 P07099 8/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 2/20 0.38
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
GBA1 P04062 1/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 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
SCHEMBL12469140 0.88 POLB (0.39) EPHX2MMP2MMP8HPGDEPHX1
SCHEMBL28515431 0.86 EPHX2 (0.37) EPHX2MMP2MMP8HPGDEPHX1
SCHEMBL30673977 0.81 EPHX1 (0.54) EPHX2MMP2MMP8HPGDEPHX1
SCHEMBL27006607 0.78 EPHX2 (0.51) EPHX2HPGDEPHX1RAB9ASMN1; SMN2
SCHEMBL24307260 0.78 HPGD (0.44) EPHX2MMP2MMP8HPGDEPHX1
SCHEMBL28524385 0.78 EPHX1 (0.50) EPHX2MMP2MMP8HPGDEPHX1
SCHEMBL12469142 0.77 MAPT (0.33) EPHX2HPGDMAPTPOLB
SCHEMBL13667376 0.77 EPHX1 (0.48) EPHX2MMP2MMP8HPGDEPHX1
SCHEMBL23663375 0.75 EPHX2 (0.39) EPHX2MMP2MMP8HPGDEPHX1
SCHEMBL12020314 0.75 HPGD (0.46) EPHX2MMP2MMP8HPGDEPHX1

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-112142619-B 1, 1-cyclopropane dicarboxylic acid amide compound and preparation method and application thereof 浙江工业大学 2023-01-10 CN disclosed
WO-2012047017-A2 2,3-DIHYDRO-ISOINDOL-1-ONE DERIVATIVE AND A COMPOSITION COMPRISING THE SAME 크리스탈지노믹스(주) (KR) 2012-04-12 WO disclosed