SCHEMBL20144720

SCHEMBL20144720

CCCCCNC(CO)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.39
EPHX1 P07099 7/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
ASAH2 Q9NR71 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
NAAA Q02083 1/20 0.34
ASAH1 Q13510 1/20 0.34

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
SCHEMBL11922823 0.93 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRSMN1; SMN2LMNA
SCHEMBL10496398 0.84 LMNA (0.37) ALDH1A1KDM4ETSHRSMN1; SMN2LMNA
SCHEMBL20751513 0.82 ALDH1A1 (0.42) ALDH1A1KDM4ETSHREPHX1SMN1; SMN2
SCHEMBL3429247 0.82 ALDH1A1 (0.36) ALDH1A1KDM4ETSHRSMN1; SMN2LMNA
SCHEMBL9949236 0.81 LMNA (0.42) KDM4ETSHRSMN1; SMN2LMNACNR1
SCHEMBL10465441 0.79 KDM4E (0.58) ALDH1A1KDM4EEPHX1LMNAASAH2
SCHEMBL3429243 0.78 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL12715979 0.78 ALDH1A1 (0.41) ALDH1A1KDM4ETSHREPHX1LMNA
SCHEMBL4550651 0.78 MEN1 (0.54) ALDH1A1KDM4ELMNAASAH2MEN1
SCHEMBL299216 0.77 CNR2 (0.49) ALDH1A1KDM4ETSHREPHX1SMN1; SMN2

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-2448956-B1 SOLID PHASE PEPTIDE SYNTHESIS OF PEPTIDE ALCOHOLS CENTRE NAT RECH SCIENT (FR) 2018-05-16 EP disclosed