SCHEMBL8329338

SCHEMBL8329338

CCOC(=O)C(OC)(C(=O)O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP1 P29466 1/20 0.39
ALDH1A1 P00352 3/20 0.38
RECQL P46063 1/20 0.38
MMP8 P22894 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HTT P42858 3/20 0.38

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
SCHEMBL8329336 0.93 LMNA (0.44) PIN1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL8327636 0.82 PIN1 (0.40) PIN1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL3134099 0.78 SMN1; SMN2 (0.48) PIN1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL28403527 0.78 LMNA (0.47) PIN1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL8329339 0.78 LMNA (0.47) PIN1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL8327633 0.77 TSHR (0.39) PIN1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL10651815 0.77 LMNA (0.46) PIN1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL1171499 0.77 POLB (0.47) PIN1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL8332643 0.75 PIN1 (0.39) PIN1SMN1; SMN2KMT2ANPSR1HSD17B10
SCHEMBL15631966 0.75 LMNA (0.44) PIN1LMNASMN1; SMN2KMT2AMEN1

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-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed