SCHEMBL7368155

SCHEMBL7368155

COC(=O)C(C)(C)P(=O)(O)ONC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
PTPN1 P18031 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KYNU Q16719 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ELANE P08246 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9424317 0.81 TSHR (0.53) MEN1KMT2APTPN1NPC1RAB9A
SCHEMBL9155285 0.79 CA12 (0.55) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL9155282 0.78 CA12 (0.56) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL6538869 0.74 MEN1 (0.63) MEN1KMT2ACA12CA1CA2
SCHEMBL15720647 0.74 CA12 (0.63) MEN1KMT2ACA12CA1CA2
SCHEMBL20997315 0.74 CA12 (0.49) MEN1KMT2ACA12CA1CA2
SCHEMBL28537302 0.74 CA12 (0.55) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL22468533 0.74 MEN1 (0.66) MEN1KMT2ACA12CA1CA2
SCHEMBL1949474 0.74 CA12 (0.55) MEN1KMT2ACA12CA1CA2
SCHEMBL22966170 0.73 CA12 (0.58) MEN1KMT2ACA12CA1CA2

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
WO-1997011960-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1997-04-03 WO disclosed