SCHEMBL22726436

SCHEMBL22726436

CCC(NC(=O)N1CCN(CC)C(=O)C1=O)c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 6/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ SLC22A8 Q8TCC7 1/20 0.40
▸ SLC22A11 Q9NSA0 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ PDE1A P54750 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL10264244 0.86 MAPT (0.40) PDE3AMAPTSLC22A6SLC22A8SLC22A11
SCHEMBL12318187 0.86 MAPT (0.40) PDE3AMAPTSLC22A6SLC22A8SLC22A11
SCHEMBL9327248 0.84 MAPT (0.46) PDE3AMAPTSLC22A6SLC22A8SLC22A11
SCHEMBL10205112 0.84 MAPT (0.39) PDE3AMAPTSLC22A6SLC22A8SLC22A11
SCHEMBL14288987 0.84 MAPT (0.44) PDE3AMAPTSLC22A6SLC22A8SLC22A11
SCHEMBL9567734 0.84 MAPT (0.46) PDE3AMAPTSLC22A6SLC22A8SLC22A11
SCHEMBL11431737 0.84 MAPT (0.46) PDE3AMAPTSLC22A6SLC22A8SLC22A11
SCHEMBL8113253 0.83 MAPT (0.43) PDE3AMAPTSLC22A6SLC22A8SLC22A11
SCHEMBL15932233 0.83 MAPT (0.39) PDE2APDE3AMAPTSLC22A6SLC22A8
SCHEMBL3731770 0.83 MAPT (0.43) PDE3AMAPTSLC22A6SLC22A8SLC22A11

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-2020243008-A1 SENSORS AND METHODS FOR RAPID MICROBIAL DETECTION BAMBU VAULT LLC (US) 2020-12-03 — — WO disclosed
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