SCHEMBL2467809

SCHEMBL2467809

CCC(C)(C)OC(=O)C(O)CO

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.36
PRKCA P17252 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP4F2 P78329 3/20 0.32
CYP4A11 Q02928 3/20 0.32
KDM4E B2RXH2 1/20 0.30
DUSP3 P51452 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 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
SCHEMBL28062077 0.83 CYP4F2 (0.38) TDP1CYP4F2CYP4A11
SCHEMBL116798 0.80 OR51E2 (0.40) OR51E2PRKCATDP1MEN1KMT2A
SCHEMBL6269635 0.80 OR51E2 (0.40) OR51E2PRKCATSHRTDP1CYP4F2
SCHEMBL27829186 0.78 ALDH1A1 (0.35) ALDH1A1TSHRTDP1LMNA
SCHEMBL2355142 0.76 ALDH1A1 (0.36) ALDH1A1TSHRTDP1LMNA
SCHEMBL29038756 0.74 TSHR (0.35) ALDH1A1TSHRTDP1LMNA
SCHEMBL28528261 0.72 CYP3A4 (0.51) ALDH1A1TSHRTDP1LMNA
SCHEMBL19236697 0.72 CYP3A4 (0.51) ALDH1A1TSHRTDP1LMNA
SCHEMBL8860901 0.72 CYP3A4 (0.33) ALDH1A1TSHRTDP1LMNA
SCHEMBL12687082 0.72 CYP3A4 (0.33) ALDH1A1TSHRTDP1LMNA

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-2364349-A2 A MOTOR FUEL ADDITIVE WITH ENHANCED PROPERTIES, AND PROCESSES FOR THE PRODUCTION THEREOF. Criss Cross Technology BV (NL) 2011-09-14 EP disclosed
WO-2010053354-A2 A MOTOR FUEL ADDITIVE WITH ENHANCED PROPERTIES, AND PROCESSES FOR THE PRODUCTION THEREOF CRISS CROSS TECHNOLOGY BV (NL) 2010-05-14 WO disclosed