SCHEMBL9423929

SCHEMBL9423929

O=C(O)CCCCOc1ccc2c(c1)C(O)c1ccccc1O2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 2/20 0.50
ACSL6 Q9UKU0 2/20 0.50
PPARA Q07869 3/20 0.48
KCNA3 P22001 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PDK2 Q15119 3/20 0.46
TSHR P16473 1/20 0.43
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
FFAR1 O14842 2/20 0.41
ALB P02768 1/20 0.41
SERPINE1 P05121 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40

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
SCHEMBL2511686 0.87 ACSL1 (0.49) ACSL1ACSL6PPARAKCNA3MAOA
SCHEMBL9423885 0.85 MAOA (0.51) MAOAMAOBTSHRPPARGPPARD
SCHEMBL4894070 0.83 ACSL1 (0.45) ACSL1ACSL6PPARAKCNA3PDK2
SCHEMBL8649317 0.81 MAOA (0.53) PPARAKCNA3MAOAMAOBPDK2
SCHEMBL11732747 0.78 MAOA (0.56) PPARAKCNA3MAOAMAOBPDK2
SCHEMBL26778722 0.75 MAOA (0.49) KCNA3MAOAMAOBPDK2TSHR
SCHEMBL11839757 0.73 MAOA (0.61) MAOAMAOB
SCHEMBL22867736 0.72 MAOB (0.51) PPARAKCNA3MAOAMAOBPPARG
SCHEMBL10722424 0.71 HDAC1 (0.68) ACSL1ACSL6PPARAPDK2FFAR1
SCHEMBL21284614 0.71 ALB (0.46) MAOAMAOBPDK2FFAR1ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5306562-A Xanthenylamide handle for use in peptide synthesis REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-04-26 US disclosed
US-5117009-A XANTHENYLAMIDE HANDLE FOR USE IN PEPTIDE SYNTHESIS UNIVERSITY OF MINNESOTA (US) 1992-05-26 US disclosed
EP-0473411-A1 Xanthenylamide handle for use in peptide synthesis and methods of producing said handle and support incorporating it REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1992-03-04 EP disclosed