SCHEMBL9770633

SCHEMBL9770633

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.35
APP P05067 4/20 0.35
SLC2A1 P11166 1/20 0.34
CALM1 P0DP23 1/20 0.34
MAPT P10636 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL9770469 0.93 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL25693125 0.79 IDO1 (0.37) TDP1GAAMAPT
SCHEMBL8618879 0.76 ESR1 (0.47) ALDH1A1
SCHEMBL1241822 0.76 ESR1 (0.47) ALDH1A1
SCHEMBL8614521 0.76 ESR1 (0.47) ALDH1A1
SCHEMBL8613505 0.76 ESR1 (0.47) ALDH1A1
SCHEMBL8617309 0.76 ESR1 (0.47) ALDH1A1
SCHEMBL8617744 0.76 ESR1 (0.47) ALDH1A1
SCHEMBL19449765 0.75 IDO1 (0.42) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL4059225 0.72 SLC2A1 (0.47) ALDH1A1TSHRCYP3A4MAPK1TDP1

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