SCHEMBL9299458

SCHEMBL9299458

CCOCCOC(=O)C(=O)OCCOC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.61
ALDH1A1 P00352 5/20 0.58
TSHR P16473 3/20 0.58
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2B P18089 1/20 0.36
OPRD1 P41143 1/20 0.36
SCN5A Q14524 1/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 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
SCHEMBL10766089 0.91 THRB (0.71) THRBALDH1A1TSHRGAASMN1; SMN2
SCHEMBL14155764 0.88 THRB (0.45) THRBALDH1A1TSHRABCB11CYP3A4
SCHEMBL22587297 0.88 THRB (0.45) THRBALDH1A1TSHRABCB11CYP3A4
SCHEMBL7092356 0.86 THRB (0.85) THRBALDH1A1TSHRABCB11CYP3A4
SCHEMBL27859554 0.85 TSHR (0.48) THRBALDH1A1TSHRRAB9AGAA
SCHEMBL1469994 0.84 ALDH1A1 (0.56) THRBALDH1A1TSHRABCB11CYP3A4
SCHEMBL1471201 0.84 ALDH1A1 (0.56) THRBALDH1A1TSHRABCB11CYP3A4
SCHEMBL1471816 0.84 ALDH1A1 (0.56) THRBALDH1A1TSHRABCB11CYP3A4
SCHEMBL1469655 0.84 ALDH1A1 (0.56) THRBALDH1A1TSHRABCB11CYP3A4
SCHEMBL5169734 0.84 ALDH1A1 (0.83) THRBALDH1A1TSHRABCB11CYP3A4

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-5352774-A Colorfast blue dyes for plastics and synthetic fibers SANDOZ AG (CH) 1994-10-04 US disclosed