SCHEMBL7790933

SCHEMBL7790933

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL8621935 0.90 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL7794936 0.83 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL18573326 0.82 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL9639704 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7790930 0.80 PTPN2 (0.33) ALDH1A1CA1CA2
SCHEMBL11953279 0.80 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL19863549 0.79 PTPN2 (0.33) ALDH1A1CA1CA2
SCHEMBL8623184 0.79 PTPN2 (0.33) ALDH1A1CA1CA2
SCHEMBL18561111 0.78 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL16434742 0.77 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63186709-A None JP disclosed
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
JP-S63186709-A ALKOXYSILYL GROUP-CONTAINING POLYMER SAGAMI CHEM RES CENTER 1988-08-02 JP disclosed