SCHEMBL8941877

SCHEMBL8941877

OCCNCCOCCOCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TSHR P16473 5/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HTT P42858 2/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
KCNH3 Q9ULD8 1/20 0.33
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL2486521 0.97 TSHR (0.56) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL31441415 0.95 TSHR (0.53) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL31584385 0.95 MEN1 (0.65) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL11806304 0.95 TSHR (0.49) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL18856638 0.95 MEN1 (0.65) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL10381823 0.95 TSHR (0.49) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL15965457 0.95 MEN1 (0.65) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL28995300 0.95 MEN1 (0.65) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL7077220 0.95 MEN1 (0.65) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL25982672 0.95 MEN1 (0.65) MEN1KMT2ATSHRMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559217-A LIGHTFASTNESS FOR BLUE DYES CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
US-5487761-A AQUEOUS ALKALINE SOLUTION OF DISAZO DYE CONTAINING LITHIUM IONS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5288294-A Lightfastness CIBA-GEIGY CORPORATION (US) 1994-02-22 US disclosed