SCHEMBL6658175

SCHEMBL6658175

O=C1C=CC(=O)N1C1(OCc2ccccc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.40
GSK3B P49841 4/20 0.40
MGLL Q99685 3/20 0.40
FAAH O00519 1/20 0.38
MMP13 P45452 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
DHFR P00374 1/20 0.35

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
SCHEMBL4236701 0.72 PPARA (0.46) ALDH1A1KMT2AMEN1
SCHEMBL438641 0.70 CTSK (0.41) ALDH1A1
SCHEMBL11540623 0.69 TSHR (0.41) KMT2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL10697022 0.69 MGLL (0.43) GSK3AGSK3BMGLLFAAHMAOA
SCHEMBL10942039 0.69 TSHR (0.44) OPRM1OPRD1OPRK1OPRL1DHFR
SCHEMBL1026581 0.68 SMN1; SMN2 (0.39) GSK3AGSK3BMGLLFAAHALDH1A1
SCHEMBL3411538 0.67 MAOA (0.45) MAOAMAOBOPRM1OPRD1OPRK1
SCHEMBL21638945 0.67 TSHR (0.43) ALDH1A1KMT2AOPRM1OPRD1OPRK1
SCHEMBL2237483 0.66 TSHR (0.41) KMT2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL3985723 0.66 MAOA (0.44) MAOAMAOBOPRM1OPRD1OPRK1

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-1479669-A1 Optically active maleimide derivatives and polymaleimides for use as chiral adsorbent in chromatography Tosoh Corporation (JP) 2004-11-24 EP disclosed