SCHEMBL27585071

SCHEMBL27585071

CCC(=O)NC(CCC(=O)O)C(N)=O.CCCCCCCC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 4/20 0.51
▸ PLA2G2C Q5R387 1/20 0.51
▸ PLA2G10 O15496 1/20 0.48
▸ GPR84 Q9NQS5 7/20 0.44
▸ PPARG P37231 7/20 0.44
▸ PPARD Q03181 7/20 0.44
▸ PPARA Q07869 7/20 0.44
▸ HDAC11 Q96DB2 5/20 0.44
▸ TSHR P16473 4/20 0.44
▸ PTPN1 P18031 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TLR2 O60603 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ FABP4 P15090 2/20 0.44
▸ FFAR4 Q5NUL3 2/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ SLC22A8 Q8TCC7 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ALOX15 P16050 1/20 0.44

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
SCHEMBL9666508 0.90 NOD1 (0.63) NOD1PLA2G2CPLA2G10GPR84PPARG
SCHEMBL6720391 0.90 NOD1 (0.63) NOD1PLA2G2CPLA2G10GPR84PPARG
SCHEMBL9521809 0.90 NOD1 (0.63) NOD1PLA2G2CPLA2G10GPR84PPARG
SCHEMBL6720390 0.90 NOD1 (0.63) NOD1PLA2G2CPLA2G10GPR84PPARG
SCHEMBL9666535 0.90 NOD1 (0.63) NOD1PLA2G2CPLA2G10GPR84PPARG
SCHEMBL9666567 0.90 NOD1 (0.63) NOD1PLA2G2CPLA2G10GPR84PPARG
SCHEMBL9664662 0.88 NOD1 (0.60) NOD1PLA2G2CPLA2G10MEN1KMT2A
SCHEMBL22489300 0.88 HPGDS (0.46) NOD1PTPN1
SCHEMBL16359255 0.88 HPGDS (0.46) NOD1PTPN1
SCHEMBL31622132 0.88 HPGDS (0.46) NOD1PTPN1

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
CN-1512890-A HCG formulation 开米卡公司 2004-07-14 — — CN disclosed
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