SCHEMBL4414910

SCHEMBL4414910

CCCC(=O)c1ccc(SCCC(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 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
HSD17B3 P37058 8/20 0.42
HSP90AA1 P07900 1/20 0.40
KCNH2 Q12809 1/20 0.40
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR7 P34969 1/20 0.36
STS P08842 1/20 0.35
CA2 P00918 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL4418190 1.00 THRA (0.44) THRATHRBHSD17B3HSP90AA1KCNH2
SCHEMBL4415960 0.79 GSK3B (0.32) THRATHRBHSP90AA1KCNH2HPGD
SCHEMBL4418067 0.79 GSK3B (0.32) THRATHRBHSP90AA1KCNH2HPGD
SCHEMBL21219435 0.78 ALDH1A1 (0.34) CA2
SCHEMBL4415863 0.78 THRA (0.34) THRATHRBCA2
SCHEMBL4415565 0.77 THRA (0.33) THRATHRBHPGDCA2
SCHEMBL4412148 0.77 THRA (0.33) THRATHRBHPGDCA2
SCHEMBL811000 0.76 HSP90AA1 (0.36) HSP90AA1KCNH2CA2
SCHEMBL811769 0.76 HSP90AA1 (0.36) HSP90AA1KCNH2CA2
SCHEMBL9422852 0.74 THRA (0.55) THRATHRBHSD17B3HSP90AA1KCNH2

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-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