SCHEMBL9850753

SCHEMBL9850753

CCCCCCCCc1ccc(I)cc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX5 P09917 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LIPG Q9Y5X9 1/20 0.40
HTR2A P28223 1/20 0.39
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 1/20 0.38
RARB P10826 2/20 0.37
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37
S1PR1 P21453 1/20 0.36

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
SCHEMBL28166338 0.83 TYR (0.50) TYRTSHRMEN1KMT2ATP53
SCHEMBL21505683 0.81 TYR (0.53) TYRTSHRMEN1KMT2ATP53
SCHEMBL5684607 0.81 TYR (0.53) TYRTSHRMEN1KMT2ATP53
SCHEMBL22300606 0.80 TYR (0.51) TYRTSHRMEN1KMT2ATP53
SCHEMBL19275390 0.79 TYR (0.50) TYRTSHRMEN1KMT2ATP53
SCHEMBL22914584 0.79 TYR (0.50) TYRTSHRMEN1KMT2ATP53
SCHEMBL30294101 0.79 TYR (0.50) TYRTSHRMEN1KMT2ATP53
SCHEMBL10343321 0.79 TYR (0.74) TYRTSHRMEN1KMT2ATP53
SCHEMBL9710376 0.79 TYR (0.50) TYRTSHRMEN1KMT2ATP53
SCHEMBL13464625 0.79 TYR (0.50) TYRTSHRMEN1KMT2ATP53

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
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP disclosed