SCHEMBL9114401

SCHEMBL9114401

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
ATM Q13315 1/20 0.57
CTSK P43235 5/20 0.54
CTRB1 P17538 2/20 0.54
ELANE P08246 2/20 0.53
CTSS P25774 5/20 0.52
CTSL P07711 4/20 0.52
ALOX15 P16050 1/20 0.52
CTSB P07858 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
PRTN3 P24158 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
SCHEMBL8427301 0.86 ATM (0.52) ALDH1A1ATMCTSKCTRB1ELANE
SCHEMBL7372298 0.86 ATM (0.61) ATMCTSKCTRB1ELANECTSS
SCHEMBL9112663 0.85 ATM (0.54) ALDH1A1ATMCTSKCTRB1ELANE
SCHEMBL28088130 0.85 TSHR (0.58) ALDH1A1ATMCTSKCTRB1ELANE
SCHEMBL28088128 0.85 TSHR (0.58) ALDH1A1ATMCTSKCTRB1ELANE
SCHEMBL10861784 0.84 ALDH1A1 (0.56) ALDH1A1ATMCTSKCTRB1ELANE
SCHEMBL10420900 0.83 CTSL (0.54) ALDH1A1ATMCTSKCTRB1ELANE
SCHEMBL10420899 0.83 CTSL (0.54) ALDH1A1ATMCTSKCTRB1ELANE
SCHEMBL10519875 0.82 ALDH1A1 (0.56) ALDH1A1ATMCTSKCTRB1ELANE
SCHEMBL27648023 0.82 CTSK (0.56) ALDH1A1ATMCTSKCTSSCTSL

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 7 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
WO-1994006808-A1 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS AFFYMAX TECHNOLOGIES N.V. (AN) 1994-03-31 WO disclosed
US-4457924-A PENICILLINS, OXAPENICILLINS, BETA-LACTAMASE INHIBITORS PFIZER, INC. (US) 1984-07-03 US disclosed
EP-0083484-A1 1,1-Alkanediol dicarboxylate linked antibacterial agents PFIZER INC. (US) 1983-07-13 EP disclosed