SCHEMBL11069746

SCHEMBL11069746

CCOC(=O)C(N)(C(=O)OCC)C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.49
MMP8 P22894 2/20 0.46
LMNA P02545 2/20 0.43
MDM4 O15151 1/20 0.43
MAPT P10636 1/20 0.43
MDM2 Q00987 1/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL14541835 0.81 MGAM (0.47) GAAMEN1KMT2ASMN1; SMN2
SCHEMBL7383382 0.77 PIN1 (0.49) PIN1MMP8LMNAMDM4MAPT
SCHEMBL8998830 0.76 PIN1 (0.45) PIN1MMP8LMNAMDM4MAPT
SCHEMBL4804225 0.75 ALDH1A1 (0.56) PIN1MMP8LMNAMDM4MAPT
SCHEMBL18979501 0.75 PIN1 (0.50) PIN1MMP8LMNAMDM4MAPT
SCHEMBL18979500 0.75 PIN1 (0.50) PIN1MMP8LMNAMDM4MAPT
SCHEMBL29688898 0.75 PIN1 (0.50) PIN1MMP8LMNAMDM4MAPT
SCHEMBL2993639 0.75 PIN1 (0.50) PIN1MMP8LMNAMDM4MAPT
SCHEMBL17857575 0.74 POLB (0.47) PIN1MMP8LMNAMDM4MAPT
SCHEMBL6773107 0.74 POLB (0.47) PIN1MMP8LMNAMDM4MAPT

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-4435322-A Heterocyclic compounds containing an alkoxycarbonyl and a substituted methyl group RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-03-06 US disclosed