SCHEMBL17340249

SCHEMBL17340249

CC(C)(N[P@@](=O)(Cl)Oc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.48
PRTN3 P24158 2/20 0.46
TP53 P04637 1/20 0.45
KLK1 P06870 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PTPN1 P18031 2/20 0.42
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
PTPRC P08575 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL12621327 1.00 ELANE (0.48) ELANEPRTN3TP53KLK1ALDH1A1
SCHEMBL12621337 0.93 TP53 (0.49) ELANEPRTN3TP53ALDH1A1PTPN1
SCHEMBL12621338 0.90 PTPN1 (0.47) ELANEPTPN1PLAUPTPRC
SCHEMBL12621330 0.88 RAB9A (0.46) ALDH1A1
SCHEMBL12621326 0.86 LMNA (0.45) ALDH1A1
SCHEMBL441596 0.83 KCNN4 (0.42) ELANEALDH1A1
SCHEMBL17902756 0.80 SRC (0.44) ALDH1A1
SCHEMBL21024257 0.79 TP53 (0.48) ELANEPRTN3TP53KLK1ALDH1A1
SCHEMBL21024244 0.78 FKBP1A (0.35) ELANEALDH1A1PTPN1PTPRCSMN1; SMN2
SCHEMBL12654689 0.77 ALDH1A1 (0.53) ALDH1A1PTPN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2955190-A2 Chemical compounds NuCana BioMed Limited (GB) 2015-12-16 EP disclosed