SCHEMBL6535628

SCHEMBL6535628

C=CCc1cc(C(F)(F)C(F)(F)C(F)F)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.50
GABRB2 P47870 6/20 0.50
POLB P06746 2/20 0.44
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
ALOX5 P09917 1/20 0.41
GABRB1 P18505 1/20 0.41
RXRA P19793 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
AKR1B1 P15121 2/20 0.40
XDH P47989 2/20 0.40
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL6535686 0.82 GABRA1 (0.50) GABRA1GABRB2POLBGAAMAPT
SCHEMBL1400362 0.81 GABRA1 (0.59) GABRA1GABRB2POLBGAAMAPT
SCHEMBL29414940 0.78 GABRA1 (0.56) GABRA1GABRB2POLBGAAMAPT
SCHEMBL29463283 0.78 GABRA1 (0.56) GABRA1GABRB2POLBGAAMAPT
SCHEMBL1055347 0.78 GABRA1 (0.56) GABRA1GABRB2POLBGAAMAPT
SCHEMBL28417627 0.76 GABRA1 (0.53) GABRA1GABRB2POLBGAAMAPT
Formic Acid SCHEMBL15743052 0.76 GABRA1 (0.53) GABRA1GABRB2POLBGAAMAPT
SCHEMBL8737327 0.75 ESR1 (0.47) MAPTKMT2AMEN1ALOX5HTT
SCHEMBL3706546 0.74 GABRA1 (0.59) GABRA1GABRB2POLBGAAMAPT
SCHEMBL29395400 0.74 KLF10 (0.62) GABRA1GABRB2POLBGAAMAPT

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
WO-2002036652-A9 PHOTOPATTERNABLE SORBENT AND FUNCTIONALIZED FILMS BATTELLE MEMORIAL INSTITUTE (US) 2004-04-29 WO claimed
EP-1337897-A4 PHOTOPATTERNABLE SORBENT AND FUNCTIONALIZED FILMS BATTELLE MEMORIAL INSTITUTE (US) 2004-08-04 EP disclosed
EP-1337897-A2 PHOTOPATTERNABLE SORBENT AND FUNCTIONALIZED FILMS BATTELLE MEMORIAL INSTITUTE (US) 2003-08-27 EP disclosed
WO-2002036652-A2 PHOTOPATTERNABLE SORBENT AND FUNCTIONALIZED FILMS BATTELLE MEMORIAL INSTITUTE (US) 2002-05-10 WO disclosed