SCHEMBL8997482

SCHEMBL8997482

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 3/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 9/20 0.43
HPGD P15428 1/20 0.43
THRB P10828 1/20 0.40
HSD17B10 Q99714 2/20 0.38
P2RY10 O00398 1/20 0.37
GPR34 Q9UPC5 1/20 0.37
LMNA P02545 1/20 0.37
DGKA P23743 1/20 0.36
MAPT P10636 1/20 0.35
PAM P19021 2/20 0.33
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL27055855 0.89 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27055860 0.88 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27055876 0.88 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27055882 0.88 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL11451395 0.88 THRB (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27055862 0.88 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27055872 0.88 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL259235 0.87 TSHR (0.38) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL262028 0.87 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL22071442 0.86 ALDH1A1 (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072086-A1 Nonaqueous electrolyte cell YUASA CORPORATION (JP) 2007-03-29 US disclosed
EP-0508409-B1 Photocurable resin composition NIPPON PAINT CO LTD (JP) 1996-09-04 EP disclosed
US-5338613-A Photocurable urethane acrylate resin composition which is weather resistant NIPPON PAINT CO., LTD. (JP) 1994-08-16 US disclosed
EP-0508409-A2 Photocurable resin composition NIPPON PAINT CO., LTD. (JP) 1992-10-14 EP disclosed