SCHEMBL14368606

SCHEMBL14368606

C=CC(=O)OCC(CC)(COCC(CC)(COC(=O)C=C)COC(=O)CC)COC(=O)CC

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.64
ALDH1A1 P00352 5/20 0.51
TP53 P04637 3/20 0.51
HIF1A Q16665 3/20 0.51
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 8/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NAAA Q02083 1/20 0.30

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
SCHEMBL14287822 0.95 THRB (0.60) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL30485504 0.93 ALDH1A1 (0.55) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL14368605 0.93 ALDH1A1 (0.55) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL13408623 0.93 ALDH1A1 (0.55) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL14368603 0.93 ALDH1A1 (0.55) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL39816 0.92 THRB (0.74) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL15082554 0.90 THRB (0.72) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL19625553 0.88 ALDH1A1 (0.60) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL13246010 0.88 ALDH1A1 (0.67) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL13305496 0.88 ALDH1A1 (0.67) THRBALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282279-B2 Magnetic recording medium including a radiation-cured material layer having a specified structure and composition FUJIFILM CORPORATION (JP) 2007-10-16 US disclosed
US-7282279-B2 Magnetic recording medium including a radiation-cured material layer having a specified structure and composition FUJIFILM CORPORATION (JP) 2007-10-16 US disclosed