SCHEMBL7426669

SCHEMBL7426669

O=C(CNC(=O)OCc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 2/20 0.51
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PREP P48147 2/20 0.45
LIPE Q05469 1/20 0.45
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
FKBP1A P62942 1/20 0.44
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 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
SCHEMBL7428713 0.85 CTSS (0.51) MEN1KMT2ANPSR1
SCHEMBL7434982 0.82 CTSS (0.58) MEN1KMT2ANPSR1CYP2C9CYP2C19
SCHEMBL6447335 0.80 MEN1 (0.63) MEN1KMT2ANPSR1ALDH1A1CYP2C9
SCHEMBL19691757 0.79 KMT2A (0.73) MEN1KMT2ANPSR1ALDH1A1CYP2C19
SCHEMBL24658483 0.78 GAA (0.61) MEN1KMT2ANPSR1PREPLIPE
SCHEMBL7391841 0.77 CTSK (0.56) MEN1KMT2ANPSR1
SCHEMBL7159251 0.75 PREP (0.59) MEN1KMT2ANPSR1ALDH1A1PREP
SCHEMBL11263011 0.75 PREP (0.59) MEN1KMT2ANPSR1ALDH1A1PREP
SCHEMBL2968474 0.75 GAA (0.53) MEN1KMT2ANPSR1ALDH1A1PREP
SCHEMBL6044214 0.75 MEN1 (0.57) MEN1KMT2ANPSR1ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
EP-0532466-A2 Derivatives of 5-amino-4-hydroxy-hexanoic acid and their therapeutical use CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed