SCHEMBL798774

SCHEMBL798774

Nc1cc(CC(F)(F)F)ccc1CC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ G6PD P11413 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL6447369 0.83 TSHR (0.40) NR1H2ALDH1A1MAPTKDM4EMEN1
SCHEMBL9287963 0.83 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL5313564 0.78 NR1H2 (0.59) NR1H2ALDH1A1MAPTKDM4ETDP1
SCHEMBL27037875 0.78 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL20856571 0.78 TSHR (0.45) ALDH1A1CYP3A4TSHRGAA
SCHEMBL23361546 0.78 SKP2 (0.32) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL9537400 0.78 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL12090355 0.78 TDP1 (0.46) ALDH1A1THRBALOX15HSD17B10CYP3A4
SCHEMBL31349168 0.78 ALDH1A1 (0.38) NR1H2ALDH1A1MAPTKDM4EMEN1
SCHEMBL18979299 0.75 ESR1 (0.43) ALDH1A1MAPTKDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035553-A1 PROCESS FOR PREPARING ANDROSTENONE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2012-03-22 — — WO disclosed
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