SCHEMBL5689448

SCHEMBL5689448

C=CC(C)(COC(=O)CCC)OC(=O)CCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
DGKA P23743 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5690441 0.82 NAAA (0.33) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL11732082 0.76 ALDH1A1 (0.44) ALDH1A1TSHRHPGDLMNA
SCHEMBL525482 0.75 ALDH1A1 (0.52) ALDH1A1TSHRDGKAMAPK1HIF1A
SCHEMBL310250 0.74 ALOX15 (0.45) ALDH1A1TSHRCYP3A4HIF1ALMNA
SCHEMBL28630652 0.74 MEN1 (0.41) ALDH1A1TSHRCYP3A4LMNA
SCHEMBL17922219 0.74 ALDH1A1 (0.56) ALDH1A1TSHRDGKATP53CYP3A4
SCHEMBL6429699 0.74 ALDH1A1 (0.46) ALDH1A1TSHRDGKALMNAHSD17B10
SCHEMBL10688843 0.74 ALDH1A1 (0.46) ALDH1A1TSHRDGKACYP3A4LMNA
SCHEMBL517466 0.73 ALDH1A1 (0.50) ALDH1A1TSHRDGKALMNAHSD17B10
SCHEMBL3203892 0.73 ALDH1A1 (0.50) ALDH1A1TSHRDGKACYP3A4LMNA

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
EP-1631645-A1 FUEL COMPOUND EXHIBITING IMPROVED COLD FLOW PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2006-03-08 EP disclosed
WO-2004106470-A1 FUEL COMPOUND EXHIBITING IMPROVED COLD FLOW PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2004-12-09 WO disclosed