SCHEMBL9754775

SCHEMBL9754775

CC1(CCCC(=O)O)CCC(C)(CCCC(=O)O)N1[O]

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 5/20 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
SCHEMBL8603958 0.87 LMNA (0.35) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL8925099 0.83 LMNA (0.40) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL2558530 0.76 LMNA (0.46) LMNASLC22A6TSHRNFKB1PMP22
Sebacic Acid SCHEMBL480504 0.72 TSHR (0.46) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL17791490 0.71 LMNA (0.46) LMNASLC22A6TSHRNFKB1PMP22
Adipic Acid SCHEMBL6552402 0.70 LMNA (0.58) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL8602642 0.70 LMNA (0.35) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL14943788 0.68 CAMK2A (0.42) LMNASLC22A6TSHRNFKB1PMP22
Succinic Acid SCHEMBL6263521 0.68 TSHR (0.42) LMNATSHRNFKB1OR51E2CYP1A2
SCHEMBL249726 0.67 CAMK2A (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991013351-A1 METHOD FOR ENHANCING NUCLEAR MAGNETIC RESONANCE IMAGING USING A NITROXIDE M.R.I., INC. (US) 1991-09-05 WO disclosed