SCHEMBL8621935

SCHEMBL8621935

C=Cc1ccc(COCC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.33
POLB P06746 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
IDO1 P14902 2/20 0.31
TSHR P16473 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7790933 0.90 ALDH1A1 (0.37) ALDH1A1MAPTPOLBKDM4EGAA
SCHEMBL7794936 0.86 ALDH1A1 (0.53) ALDH1A1MAPTPOLBKDM4EGAA
SCHEMBL18573326 0.85 ALDH1A1 (0.41) ALDH1A1MAPTPOLBKDM4EGAA
SCHEMBL11953279 0.83 ALDH1A1 (0.42) ALDH1A1MAPTPOLBKDM4EGAA
SCHEMBL18561111 0.81 ALDH1A1 (0.39) ALDH1A1MAPTPOLBKDM4EGAA
SCHEMBL16434742 0.80 ALDH1A1 (0.37) ALDH1A1MAPTPOLBKDM4EGAA
SCHEMBL5066935 0.79 ALDH1A1 (0.55) ALDH1A1MAPTPOLBTSHRTDP1
SCHEMBL19429021 0.79 ALDH1A1 (0.41) ALDH1A1POLBKDM4EGAATSHR
SCHEMBL9639704 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9152217 0.77

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
US-5741830-A COPOLYMER OF A FLUORINE CONTAINING STYRENE DERIVATIVE AND N,N-DIMETHYL(METH)ACRYLAMIDE MENICON CO., LTD. (JP) 1998-04-21 US disclosed
EP-0729041-A2 Water-Absorptive soft contact lens Menicon Co., Ltd. (JP) 1996-08-28 EP disclosed