SCHEMBL7793946

SCHEMBL7793946

C=Cc1ccc(COCCCC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
ALDH1A1 P00352 3/20 0.35
UGCG Q16739 3/20 0.35
GBA2 Q9HCG7 3/20 0.35
GBA1 P04062 2/20 0.35
SI P14410 1/20 0.35
TEAD3 Q99594 1/20 0.32
MAOB P27338 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NAAA Q02083 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
MEN1 O00255 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
SCHEMBL7795363 0.90 ALDH1A1 (0.38) APPPTPN2PTPN1PTPN6ALDH1A1
SCHEMBL316600 0.84 ALDH1A1 (0.46) ALDH1A1UGCGGBA2GBA1SI
SCHEMBL316695 0.84 ALDH1A1 (0.46) PTPN2PTPN1PTPN6ALDH1A1TEAD3
SCHEMBL18868387 0.83 ALDH1A1 (0.44) ALDH1A1UGCGGBA2GBA1SI
SCHEMBL18832287 0.80 ALDH1A1 (0.50) PTPN2PTPN1PTPN6ALDH1A1TEAD3
SCHEMBL7794936 0.80 ALDH1A1 (0.53) ALDH1A1MEN1MAPTKMT2A
SCHEMBL9314684 0.79 ALDH1A1 (0.31) ALDH1A1TDP1L3MBTL1CHRNB2CHRNB4
SCHEMBL17075233 0.79 ALDH1A1 (0.48) APPPTPN2PTPN1PTPN6ALDH1A1
SCHEMBL1140820 0.79 ALDH1A1 (0.48) APPPTPN2PTPN1PTPN6ALDH1A1
SCHEMBL13626326 0.78 CHRNB2 (0.50) APPALDH1A1MAOBCHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729041-B1 Water-Absorptive soft contact lens MENICON CO LTD (JP) 2001-11-28 EP disclosed
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