SCHEMBL9112663

SCHEMBL9112663

CC(=O)OC(NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
ELANE P08246 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CTSK P43235 4/20 0.52
CTRB1 P17538 2/20 0.51
PRTN3 P24158 2/20 0.51
CTSS P25774 4/20 0.50
CTSL P07711 3/20 0.50
CTSB P07858 2/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL9114401 0.85 ALDH1A1 (0.57) ATMELANEALDH1A1CTSKCTRB1
SCHEMBL7202814 0.81 ELANE (0.53) ATMELANEALDH1A1CTSKCTRB1
SCHEMBL8028649 0.81 ELANE (0.53) ATMELANEALDH1A1CTSKCTRB1
SCHEMBL7198750 0.81 ELANE (0.53) ATMELANEALDH1A1CTSKCTRB1
SCHEMBL10861784 0.81 ALDH1A1 (0.56) ATMELANEALDH1A1CTSKCTRB1
SCHEMBL10420899 0.81 CTSL (0.54) ATMELANEALDH1A1CTSKCTRB1
SCHEMBL10420900 0.81 CTSL (0.54) ATMELANEALDH1A1CTSKCTRB1
SCHEMBL17956417 0.80 ATM (0.61) ATMELANECTSKCTRB1PRTN3
SCHEMBL17956471 0.80 ATM (0.61) ATMELANECTSKCTRB1PRTN3
SCHEMBL12906609 0.80 ATM (0.61) ATMELANECTSKCTRB1PRTN3

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-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
US-5302707-A 5-fluorouridine nucleoside phosphate compounds AFFYMAX TECHNOLOGIES N.V. (US) 1994-04-12 US disclosed
WO-1994006808-A1 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS AFFYMAX TECHNOLOGIES N.V. (AN) 1994-03-31 WO disclosed