SCHEMBL4419675

SCHEMBL4419675

COc1ccc(C(=O)C(C)(C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.40
ELANE P08246 1/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
MAOB P27338 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL4418782 0.94 MAPT (0.47) CES2CES1MAPTLMNAHTT
SCHEMBL4415126 0.86 CA2 (0.41) CES2MAPTLMNAHTTGAA
SCHEMBL4418034 0.84 GAA (0.41) MAPTGAACA1CA2CYP1A1
SCHEMBL4425313 0.84 CA1 (0.47) MAPTGAAALDH1A1CA1CA2
SCHEMBL2469082 0.80 ELANE (0.40) CES2MAPTLMNAHTTGAA
SCHEMBL4415099 0.78 CA1 (0.41) MAPTGAAALDH1A1CA1CA2
SCHEMBL18660115 0.71 CES2 (0.55) CES2CES1MAPTLMNAALDH1A1
SCHEMBL10532095 0.71 CES2 (0.55) CES2CES1MAPTLMNAGAA
SCHEMBL9576690 0.70 CA2 (0.43) MAPTLMNAHTTELANECA1
SCHEMBL1398393 0.70 CES1 (0.59) CES2CES1MAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392779-B1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS CIBA HOLDING INC (CH) 2009-04-22 EP disclosed
EP-1392779-B1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS CIBA HOLDING INC (CH) 2009-04-22 EP disclosed
US-20040067311-A1 Fluorinated-photoinitiators in dual cure resins CIBA SPECIALTY CHEMICALS CORP. 2004-04-08 US disclosed
EP-1392779-A1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS Ciba SC Holding AG (CH) 2004-03-03 EP disclosed
WO-2002040602-A1 FLUORINATED-PHOTOINITIATORS IN DUAL CURE RESINS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-05-23 WO disclosed