SCHEMBL6833215

SCHEMBL6833215

O=C(O)CCOC(=O)[C@@H]1CC(OCCC(=O)O)CN1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL6834909 0.78 CYP1A2 (0.32) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL5517079 0.72
SCHEMBL14343179 0.71 LMNA (0.38)
SCHEMBL25415932 0.70 CYP2D6 (0.46) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL30510374 0.70 CYP2D6 (0.46) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL22108665 0.70 CYP2D6 (0.46) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3
SCHEMBL21063399 0.70 LMNA (0.33)
SCHEMBL18473553 0.70 CHRNB2 (0.35) CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL12741737 0.70 CHRNB2 (0.35) CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL20681656 0.70 CYP1A2 (0.39) CYP1A2CYP2D6ALOX15CYP2C19SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 WO disclosed