SCHEMBL8925099

SCHEMBL8925099

CC1(CCCC(=O)O)CCC(C)(CCCC(=O)O)N1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
SLC22A6 Q4U2R8 2/20 0.40
TSHR P16473 6/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
AKR1B1 P15121 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL8602642 0.87 LMNA (0.35) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL9754775 0.83 LMNA (0.40) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL8602641 0.79 LMNA (0.32) LMNATSHRNFKB1HDAC11ALDH1A1
SCHEMBL2558530 0.76 LMNA (0.46) LMNASLC22A6TSHRNFKB1PMP22
Sebacic Acid SCHEMBL7179944 0.72 TSHR (0.46) LMNASLC22A6TSHRNFKB1PMP22
Octanedioate SCHEMBL30741313 0.72 TSHR (0.46) LMNASLC22A6TSHRNFKB1PMP22
Sebacic Acid SCHEMBL28325940 0.72 TSHR (0.46) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL21236200 0.71 LMNA (0.32) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL21236199 0.71 LMNA (0.32) LMNASLC22A6TSHRNFKB1PMP22
Adipic Acid SCHEMBL6552402 0.70 LMNA (0.58) LMNASLC22A6TSHRNFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2608740-B2 1997-05-14 JP claimed
EP-0260304-A4 NMR IMAGE ENHANCING AGENTS AND THEIR USE 1993-04-14 EP claimed
EP-0260304-A1 NMR IMAGE ENHANCING AGENTS AND THEIR USE M.R.I. INC. (US) 1988-03-23 EP claimed
WO-1987005222-A1 NMR IMAGE ENHANCING AGENTS AND THEIR USE M.R.I. INC. (US) 1987-09-11 WO claimed
EP-0260304-A4 NMR IMAGE ENHANCING AGENTS AND THEIR USE 1993-04-14 EP disclosed
US-5104641-A Injecting into blood or joints M.R.I., INC. (US) 1992-04-14 US disclosed
WO-1991013351-A1 METHOD FOR ENHANCING NUCLEAR MAGNETIC RESONANCE IMAGING USING A NITROXIDE M.R.I., INC. (US) 1991-09-05 WO disclosed
EP-0260304-A1 NMR IMAGE ENHANCING AGENTS AND THEIR USE M.R.I. INC. (US) 1988-03-23 EP disclosed
WO-1987005222-A1 NMR IMAGE ENHANCING AGENTS AND THEIR USE M.R.I. INC. (US) 1987-09-11 WO disclosed