SCHEMBL14339199

SCHEMBL14339199

Cc1cc(OCC(F)(F)F)ccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
RXRA P19793 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RXRB P28702 1/20 0.50
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
HNF4A P41235 1/20 0.45
POLB P06746 1/20 0.45
CYP17A1 P05093 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SCN9A Q15858 1/20 0.44
HTT P42858 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL9018717 0.88 ALDH1A1 (0.56) ALDH1A1CYP2C9CYP1A2KDM4ERAB9A
SCHEMBL20556382 0.86 RXRB (0.45) ALDH1A1RXRACYP1A2KDM4ERXRB
SCHEMBL4408334 0.83 KDM4E (0.51) ALDH1A1CYP2C9CYP1A2KDM4ESMN1; SMN2
SCHEMBL15350813 0.83 KDM4E (0.51) ALDH1A1CYP2C9CYP1A2KDM4ESMN1; SMN2
SCHEMBL15350432 0.82 CYP1A2 (0.54) ALDH1A1CYP2C9CYP1A2KDM4ERAB9A
SCHEMBL2716480 0.81 KDM4E (0.50) ALDH1A1CYP2C9CYP1A2KDM4ESMN1; SMN2
SCHEMBL686832 0.80 KDM4E (0.57) ALDH1A1RXRACYP1A2KDM4ERXRB
SCHEMBL16909329 0.79 THRA (0.48) ALDH1A1L3MBTL1HTT
SCHEMBL978291 0.79 KDM4E (0.71) ALDH1A1CYP2C9CYP1A2KDM4ERAB9A
SCHEMBL966871 0.79 RXRB (0.50) ALDH1A1RXRARXRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3196236-B1 VERTICAL ALIGNMENT FILM COMPRISING (CO)POLYMER OF CYCLIC OLEFIN COMPOUND LG CHEMICAL LTD (KR) 2019-04-10 EP disclosed
US-10131843-B2 Vertical alignment layer comprising cyclic olefin copolymer LG CHEM, LTD. (KR) 2018-11-20 US disclosed
US-20170349834-A1 VERTICAL ALIGNMENT LAYER COMPRISING CYCLIC OLEFIN COPOLYMER LG CHEM, LTD. (KR) 2017-12-07 US disclosed
EP-3196236-A1 VERTICAL ALIGNMENT FILM COMPRISING (CO)POLYMER OF CYCLIC OLEFIN COMPOUND LG Chem, Ltd. (KR) 2017-07-26 EP disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 EP disclosed
EP-1813603-A1 AROMATIC AMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICAL USES OF BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP disclosed