SCHEMBL5617142

SCHEMBL5617142

CCSC(C(=O)CN1CCOCC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
HIF1A Q16665 1/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL5496428 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAKDM4ECYP3A4
SCHEMBL28838516 0.73 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNACYP3A4HIF1A
SCHEMBL11036263 0.70 PKM (0.46) ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL8917009 0.68 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNACYP3A4HIF1A
SCHEMBL18889507 0.68 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNACYP3A4HIF1A
SCHEMBL2551775 0.68 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2LMNAKDM4ECYP3A4
SCHEMBL12666562 0.68 GPR88 (0.52) ALDH1A1SMN1; SMN2LMNACYP3A4HIF1A
SCHEMBL3159167 0.67 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2LMNAKDM4EHIF1A
SCHEMBL12284224 0.67 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2LMNAHIF1AHTT
SCHEMBL5486112 0.67 OPRM1 (0.52) ALDH1A1SMN1; SMN2LMNAKDM4EUSP2

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
US-20070126833-A1 Digital printing using ultraviolet inks CITIBANK, N.A., AS COLLATERAL AGENT 2007-06-07 US claimed