SCHEMBL3221339

SCHEMBL3221339

CC(C)CCCC(C)CCOC(=O)C1CCCCC1C(=O)OCCC(C)CCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.42
LMNA P02545 1/20 0.39
PTPN1 P18031 2/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 2/20 0.34
ALOX15 P16050 2/20 0.34
PPARG P37231 1/20 0.34
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33
MEN1 O00255 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
SCHEMBL1297181 0.87 TP53 (0.41) CYP3A4TP53GAARAB9ASMN1; SMN2
SCHEMBL1296803 0.87 TP53 (0.43) CYP3A4TP53GAARAB9ASMN1; SMN2
SCHEMBL780426 0.87 TP53 (0.46) CYP3A4TP53GAARAB9ASMN1; SMN2
SCHEMBL1296083 0.86 TP53 (0.40) CYP3A4TP53GAARAB9ASMN1; SMN2
SCHEMBL2838414 0.86 TP53 (0.40) BLMLMNAPTPN1CYP3A4TP53
SCHEMBL782037 0.85 TP53 (0.42) CYP3A4TP53GAARAB9ASMN1; SMN2
SCHEMBL1296648 0.84 TP53 (0.39) CYP3A4TP53GAARAB9ASMN1; SMN2
SCHEMBL1296675 0.84 TP53 (0.39) CYP3A4TP53GAARAB9ASMN1; SMN2
SCHEMBL1297327 0.84 TP53 (0.39) CYP3A4TP53GAARAB9ASMN1; SMN2
SCHEMBL1297370 0.84 TP53 (0.39) CYP3A4TP53GAARAB9ASMN1; SMN2

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
EP-2071010-B1 GREASE IDEMITSU KOSAN CO (JP) 2019-08-07 EP disclosed
US-8703678-B2 Grease IDEMITSU KOSAN CO., LTD. (JP) 2014-04-22 US disclosed
US-20100035779-A1 GREASE IDEMITSU KOSAN CO., LTD (JP) 2010-02-11 US disclosed
EP-2071010-A1 GREASE Idemitsu Kosan Co., Ltd. (JP) 2009-06-17 EP disclosed