SCHEMBL6881174

SCHEMBL6881174

CCOC(=O)[C@H]1[C@H](C)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HTR2C P28335 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CYP2C19 P33261 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
SCHEMBL38660463 1.00 ELANE (0.50) ELANESMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL6882618 1.00 ELANE (0.50) ELANESMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL883433 0.89 NPC1 (0.51) SMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL30591386 0.89 NPC1 (0.51) SMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL116516 0.89 NPC1 (0.51) SMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL883439 0.89 NPC1 (0.51) SMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL19083887 0.89 NPC1 (0.51) SMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL29302842 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL29302825 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL5740609 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19

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-2011091407-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLP (US) 2011-07-28 WO disclosed