SCHEMBL18869045

SCHEMBL18869045

C[C@H](C(=O)O)[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
F2 P00734 2/20 0.48
F10 P00742 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
F7 P08709 2/20 0.48
F3 P13726 2/20 0.48
PRSS3 P35030 2/20 0.48
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL27851541 0.86 F2 (0.47) F2F10PRSS1PRSS2F7
SCHEMBL10600485 0.84 ACHE (0.58) F2F10PRSS1PRSS2F7
SCHEMBL6425698 0.84 ACHE (0.58) F2F10PRSS1PRSS2F7
SCHEMBL7281732 0.84 ACHE (0.58) F2F10PRSS1PRSS2F7
SCHEMBL18832485 0.84 ACHE (0.58) F2F10PRSS1PRSS2F7
SCHEMBL7271123 0.83 F2 (0.48) KEAP1NFE2L2F2F10PRSS1
SCHEMBL9360975 0.83 F2 (0.49) F2F10PRSS1PRSS2F7
SCHEMBL9360982 0.83 F2 (0.49) F2F10PRSS1PRSS2F7
SCHEMBL7271279 0.83 MEN1 (0.45) F2F10PRSS1PRSS2F7
SCHEMBL8886562 0.83 HPGD (0.49) F2F10PRSS1PRSS2F7

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-2017081206-A1 PROCESSES FOR THE PREPARATION OF DIASTEREOMERICALLY AND ENANTIOMERICALLY ENRICHED OXAZOLINES Química Sintética, S.A. (ES) 2017-05-18 WO disclosed