SCHEMBL6667563

SCHEMBL6667563

OCC(O)COC=COC=COCC(O)CO

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 2/20 0.31
KDM4E B2RXH2 1/20 0.31
AGTR1 P30556 1/20 0.31

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
SCHEMBL28007866 0.81 USP2 (0.35) LMNAALDH1A1USP2THRB
SCHEMBL25366726 0.80
SCHEMBL4388055 0.78
SCHEMBL8134429 0.78
SCHEMBL28658644 0.75 LMNA (0.35) LMNAALDH1A1USP2CYP1A2KDM4E
SCHEMBL20475887 0.75 GAPDH (0.35) LMNAALDH1A1USP2KDM4E
SCHEMBL28225626 0.75 AR (0.33) LMNAALDH1A1USP2
SCHEMBL28829221 0.75 ALDH1A1 (0.33) LMNAALDH1A1USP2
SCHEMBL27566387 0.75 LMNA (0.33) LMNAALDH1A1USP2
SCHEMBL28832004 0.73 LMNA (0.32) LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451228-A1 FLUORINE-CONTAINING COMPOUNDS AND POLYMERS DERIVED THEREFROM Honeywell International, Inc. (US) 2004-09-01 EP claimed
US-20030039919-A1 Fluorine-containing compounds and polymers derived therefrom HONEYWELL INTERNATIONAL INC. 2003-02-27 US claimed
WO-2002102858-A1 FLUORINE-CONTAINING COMPOUNDS AND POLYMERS DERIVED THEREFROM HONEYWELL INTERNATIONAL, INC. (US) 2002-12-27 WO claimed