SCHEMBL10946196

SCHEMBL10946196

CCCOCCOC(=O)OC(=O)OCCOCCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.50
ALDH1A1 P00352 7/20 0.43
TSHR P16473 3/20 0.43
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
THRB P10828 3/20 0.38
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
ACHE P22303 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 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
SCHEMBL1471707 0.90 ALDH1A1 (0.46) SOAT1ALDH1A1TSHRTP53HIF1A
SCHEMBL28125534 0.90 ALDH1A1 (0.46) SOAT1ALDH1A1TSHRTP53HIF1A
SCHEMBL1470169 0.90 ALDH1A1 (0.46) SOAT1ALDH1A1TSHRTP53HIF1A
SCHEMBL16732108 0.88 ALDH1A1 (0.44) SOAT1ALDH1A1TSHRTP53HIF1A
SCHEMBL14199946 0.85 ALDH1A1 (0.46) SOAT1ALDH1A1TSHRTP53HIF1A
SCHEMBL2497149 0.85 SOAT1 (0.60) SOAT1ALDH1A1TSHRHSD17B10NAAA
SCHEMBL29315316 0.84 ALDH1A1 (0.41) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL10978252 0.84 ALDH1A1 (0.59) SOAT1ALDH1A1TSHRTP53HIF1A
SCHEMBL29315318 0.84 ALDH1A1 (0.41) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL1128715 0.84 ALDH1A1 (0.41) ALDH1A1TSHRTP53HIF1AHSD17B10

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-4496480-A Isothiazolazo dyes having coupling components which are free from unsaturated aliphatic radicals BASF AKTIENGESELLSCHAFT (DE) 1985-01-29 US claimed