SCHEMBL9770469

SCHEMBL9770469

CN(C)c1ccc(CC(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
TSHR P16473 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALOX15 P16050 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.37
APP P05067 3/20 0.37
SLC2A1 P11166 1/20 0.36
CALM1 P0DP23 1/20 0.36
MAPT P10636 1/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL9770633 0.93 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL25693036 0.78 IDO1 (0.39) TDP1MAPT
SCHEMBL18588695 0.73 SLC6A2 (0.43) ALDH1A1TSHRTP53CALM1
SCHEMBL1754132 0.73 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL25693125 0.71 IDO1 (0.37) TDP1GAAMAPT
SCHEMBL616691 0.69 SLC6A2 (0.57) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL25039216 0.68 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL21909725 0.68 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL4281441 0.68 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL777060 0.67 TSHR (0.44) ALDH1A1TSHRTDP1

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
US-5051330-A For image development EASTMAN KODAK COMPANY (US) 1991-09-24 US disclosed