SCHEMBL28378530

SCHEMBL28378530

CCCC(=O)NC(CCC)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 12/20 0.59
▸ GNPAT O15228 1/20 0.47
▸ SLC6A5 Q9Y345 1/20 0.47
▸ FOLH1 Q04609 1/20 0.45
▸ RIMKLA Q8IXN7 1/20 0.45
▸ NAALAD2 Q9Y3Q0 1/20 0.45
▸ FPR2 P25090 1/20 0.45
▸ HDAC2 Q92769 3/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ AKR1A1 P14550 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HDAC3 O15379 1/20 0.43

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
SCHEMBL9005526 0.88 FOLH1 (0.62) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL21067841 0.88 GNPAT (0.62) NOD1GNPATSLC6A5FOLH1RIMKLA
SCHEMBL138443 0.88 NOD1 (0.56) NOD1GNPATSLC6A5FOLH1RIMKLA
SCHEMBL31039943 0.88 NOD1 (0.70) NOD1GNPATSLC6A5HDAC2
SCHEMBL6577588 0.88 NOD1 (0.56) NOD1GNPATSLC6A5FOLH1RIMKLA
SCHEMBL9005518 0.88 FOLH1 (0.62) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL9829528 0.88 NOD1 (0.70) NOD1GNPATSLC6A5HDAC2
SCHEMBL21067842 0.88 GNPAT (0.62) NOD1GNPATSLC6A5FOLH1RIMKLA
SCHEMBL20539229 0.88 FOLH1 (0.62) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL9829527 0.88 NOD1 (0.70) NOD1GNPATSLC6A5HDAC2

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-110869024-A Multi-biological agents and methods of use thereof 旗舰创业创新五公司 2020-03-06 — — CN disclosed
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