SCHEMBL9112414

SCHEMBL9112414

COP(=O)(CNC(=O)OCc1ccccc1)OC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 1/20 0.54
KYNU Q16719 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL9112418 0.86 LMNA (0.55) LMNASMN1; SMN2HTTKYNUHSD17B10
SCHEMBL7282990 0.85 HSD17B10 (0.56) LMNASMN1; SMN2HTTHSD17B10NPC1
SCHEMBL13537616 0.84 LMNA (0.59) LMNASMN1; SMN2HTTHSD17B10NPC1
SCHEMBL11173083 0.83 LMNA (0.58) LMNASMN1; SMN2HTTHSD17B10NPC1
(Benzyloxycarbonylamino)Methylphosphonic Acid SCHEMBL5586441 0.82 LMNA (0.61) LMNASMN1; SMN2HTTHSD17B10NPC1
SCHEMBL11307852 0.82 CTSS (0.60) KYNU
SCHEMBL18669984 0.81 LMNA (0.56) LMNASMN1; SMN2HTTHSD17B10NPC1
SCHEMBL5063193 0.79 LMNA (0.77) LMNASMN1; SMN2HTTNPC1RAB9A
SCHEMBL11774367 0.79 NPC1 (0.54) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL18677470 0.79 NPC1 (0.55) LMNASMN1; SMN2HTTHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882686-A2 Pyrrolidine and piperidine derivates as nk1 antagonists SCHERING CORPORATION (US) 2008-01-30 EP disclosed
EP-0659188-A4 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS. AFFYMAX TECH NV (AN) 1995-11-22 EP disclosed
EP-0659188-A1 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS AFFYMAX TECHNOLOGIES N.V. (AN) 1995-06-28 EP disclosed
US-5420328-A Esterification with alcohol and hydrolysis AFFYMAX TECHNOLOGIES, N.V. (AN) 1995-05-30 US disclosed
US-5359115-A Reacting phosphonic monoester with dialkylazodicarboxylate, triphenylphosphine and secondary alcohol to form diester, hydrolyzing selective ester to form monoester, coupling an aminoacid to yield peptidylphosphonate AFFYMAX TECHNOLOGIES, N.V. (US) 1994-10-25 US disclosed
WO-1994006808-A1 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS AFFYMAX TECHNOLOGIES N.V. (AN) 1994-03-31 WO disclosed