SCHEMBL17696396

SCHEMBL17696396

CCCCCCN=c1sc2c(O)ccc(O)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TYR P14679 2/20 0.37
MGLL Q99685 6/20 0.35
NAAA Q02083 1/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 1/20 0.34
HSPD1 P10809 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
SCHEMBL16205270 0.98 KAT8 (0.37) KAT8MEN1KMT2ATYRMGLL
SCHEMBL9929719 0.69 KDM4E (0.37) KAT8MEN1KMT2ATYRESR1
SCHEMBL9929720 0.69 KDM4E (0.37) KAT8MEN1KMT2ATYRESR1
SCHEMBL15789461 0.62 TSHR (0.40) MEN1KMT2AMGLLNAAATP53
Catechol SCHEMBL27517238 0.61 ALDH1A1 (0.56) KAT8MEN1KMT2ANAAAESR1
Octane SCHEMBL27871796 0.61 ALDH1A1 (0.56) KAT8MEN1KMT2ANAAAESR1
Pentadecane SCHEMBL27500799 0.61 ALDH1A1 (0.56) KAT8MEN1KMT2ANAAAESR1
SCHEMBL8936594 0.61 TYR (0.60) KAT8MEN1KMT2ATYRESR1
SCHEMBL10337301 0.61 TYR (0.60) KAT8MEN1KMT2ATYRESR1
SCHEMBL5143093 0.61 TYR (0.60) KAT8MEN1KMT2ATYRESR1

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-20160108315-A1 OPTICALLY ANISOTROPIC LAYER, METHOD FOR PRODUCING THE OPTICALLY ANISOTROPIC LAYER, A LAMINATE, POLARIZING PLATE, DISPLAY DEVICE, LIQUID CRYSTAL COMPOUND, METHOD FOR PRODUCING THE LIQUID CRYSTAL COMPOUND, AND CARBOXYLIC ACID COMPOUND FUJIFILM CORPORATION (JP) 2016-04-21 US disclosed