SCHEMBL22450120

SCHEMBL22450120

CC1CCCN(C(=O)Oc2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CHRNA7 P36544 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PABPC1 P11940 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ AADAT Q8N5Z0 1/20 0.41

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
SCHEMBL8466542 0.80 NPC1 (0.51) SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL21001982 0.78 ALDH1A1 (0.62) GAASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL5697246 0.75 ALDH1A1 (0.68) GAASMN1; SMN2ALDH1A1CHRNA7HTR3A
SCHEMBL25318734 0.74 PIK3CD (0.35) SMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL2678410 0.74 SMN1; SMN2 (0.51) GAASMN1; SMN2ALDH1A1CHRNA7HTR3A
SCHEMBL5639167 0.74 ALDH1A1 (0.43) GAASMN1; SMN2ALDH1A1CHRNA7HTR3A
SCHEMBL5639158 0.74 ALDH1A1 (0.43) GAASMN1; SMN2ALDH1A1CHRNA7HTR3A
SCHEMBL22449981 0.73 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MAPK1POLBMEN1
SCHEMBL20553753 0.73 SMN1; SMN2 (0.50) GAASMN1; SMN2ALDH1A1CHRNA7HTR3A
SCHEMBL25323472 0.73 PDE4A (0.43) ALDH1A1KDM4ENPC1MEN1KMT2A

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
EP-3712140-A1 QUATERNARY HETEROATOM CONTAINING COMPOUNDS California Institute of Technology (US) 2020-09-23 — — EP disclosed
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