SCHEMBL9575352

SCHEMBL9575352

Nc1cc(C(c2ccc(Nc3ccc(Oc4ccccc4)cc3)c(N)c2)(C(F)(F)F)C(F)(F)F)ccc1Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.59
MAPT P10636 7/20 0.59
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 6/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
GFER P55789 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
THRB P10828 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
MMP14 P50281 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK14 Q16539 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SCN9A Q15858 3/20 0.39
SCN5A Q14524 2/20 0.39
ERBB2 P04626 1/20 0.39

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
SCHEMBL376200 0.87 GAA (0.77) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL29708495 0.87 GAA (0.77) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL29540467 0.87 GAA (0.77) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL6290876 0.85 MAPT (0.54) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL18872955 0.82 MAPT (0.44) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL23057879 0.81 GAA (0.67) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL10068514 0.80 GAA (0.65) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL25533949 0.79 GAA (0.63) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL11795177 0.79 MAOA (0.53) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL25535335 0.76 GAA (0.59) GAAMAPTALDH1A1KDM4EMEN1

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-0278414-B1 PROCESS FOR THE PREPARATION OF REACTION PRODUCTS OF 2,2-BIS (4-HYDROXYPHENYL) HEXAFLUOROPROPANE, AND THE DERIVATIVES OBTAINED HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-11 EP disclosed
US-5028728-A Process for the preparation of reaction products of 2,2-bis-(4-hydroxphenyl)-hexafluoropropane and new derivatives of this type HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
EP-0278414-A2 Process for the preparation of reaction products of 2,2-bis (4-hydroxyphenyl) hexafluoropropane, and the derivatives obtained HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-17 EP disclosed