SCHEMBL264603

SCHEMBL264603

C=COC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8216178 0.86 ALDH1A1 (0.31) SMN1; SMN2
SCHEMBL12076820 0.84 TSHR (0.42) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL13786725 0.81
SCHEMBL37167 0.80 ALDH1A1 (0.46) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL25476882 0.80 TSHR (0.35) TSHRMAPTKDM4ETDP1LMNA
SCHEMBL25476884 0.79 ALDH1A1 (0.31) SMN1; SMN2
SCHEMBL9189882 0.77 TSHR (0.34) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL13786724 0.76 TSHR (0.35) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL10591032 0.76 TSHR (0.44) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL10457681 0.76 TSHR (0.39) TSHRUSP2MAPTKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133960-B2 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2012-03-13 US disclosed
US-8133960-B2 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2012-03-13 US disclosed
US-20100317817-A1 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2010-12-16 US disclosed
US-20100317817-A1 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2010-12-16 US disclosed