SCHEMBL9112225

SCHEMBL9112225

CC(C)CCC(=O)N[C@](C)(O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
PIK3CD O00329 1/20 0.36
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KCNJ11 Q14654 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.32
TSHR P16473 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
NAMPT P43490 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9112217 1.00 CA1 (0.39) CA1PIK3CDP2RX7ALDH1A1KCNJ11
SCHEMBL22175199 0.82 KDM4C (0.40) CA1PIK3CDP2RX7ALDH1A1KCNJ11
SCHEMBL20767063 0.80 CA1 (0.35) CA1PIK3CDP2RX7ALDH1A1KCNJ11
SCHEMBL542644 0.80 GRM8 (0.47) ALDH1A1
SCHEMBL17771181 0.79 CA1 (0.44) CA1PIK3CDP2RX7ALDH1A1MMP2
SCHEMBL19389216 0.74 ALDH1A1 (0.46) CA1P2RX7ALDH1A1LMNA
SCHEMBL19110989 0.73 CA1 (0.39) CA1PIK3CDP2RX7ALDH1A1KCNJ11
SCHEMBL25597226 0.72 ALDH1A1 (0.47) CA1PIK3CDP2RX7ALDH1A1KCNJ11
SCHEMBL21800986 0.71 CTSK (0.33) CA1
SCHEMBL24554850 0.70 POLB (0.41) CA1PIK3CDP2RX7ALDH1A1MMP2

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 5 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