SCHEMBL22025571

SCHEMBL22025571

CCCCOCCOCCOCCCC=N

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.32
RARB P10826 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL27383654 0.82
Hydrochloric Acid SCHEMBL27378815 0.80
SCHEMBL15859523 0.79 HTT (0.50) TSHRMEN1THRBHTTKMT2A
SCHEMBL29242970 0.79 HTT (0.50) TSHRMEN1THRBHTTKMT2A
SCHEMBL39514 0.79 TSHR (0.67) TSHRCYP3A4MEN1THRBHTT
SCHEMBL8636270 0.79 TSHR (0.67) TSHRCYP3A4MEN1THRBHTT
SCHEMBL988078 0.79 TSHR (0.67) TSHRCYP3A4MEN1THRBHTT
SCHEMBL30673 0.79 TSHR (0.67) TSHRCYP3A4MEN1THRBHTT
SCHEMBL217238 0.79 TSHR (0.67) TSHRCYP3A4MEN1THRBHTT
SCHEMBL1132722 0.79 TSHR (0.67) TSHRCYP3A4MEN1THRBHTT

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-3017953-B1 INKJET PRINTER AND IMAGE FORMATION METHOD KONICA MINOLTA INC (JP) 2020-05-27 EP disclosed