SCHEMBL7762826

SCHEMBL7762826

CCCCCCCCCCCCSCC(NC(=O)OCCC)C(=O)O.O=CCCl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ICMT O60725 1/20 0.36
TLR2 O60603 2/20 0.36
CES2 O00748 1/20 0.35
NOD1 Q9Y239 3/20 0.35
EPHX1 P07099 1/20 0.35
PLA2G2A P14555 2/20 0.34
PLA2G5 P39877 2/20 0.34
CTSK P43235 2/20 0.34
PPARA Q07869 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL7762822 0.89 GMNN (0.39) GMNNTP53POLBMAPTTHRB
SCHEMBL7762829 0.89 CES2 (0.41) GMNNTP53POLBMAPTTHRB
SCHEMBL7757493 0.84 PPARA (0.53) PPARASIRT2SIRT1
SCHEMBL7763910 0.80 CES1 (0.45) GMNNTP53POLBMAPTTHRB
SCHEMBL7757472 0.77 HDAC3 (0.47) CYP2C9HSD17B10ICMT
SCHEMBL23117326 0.75 PPARG (0.53) GMNNTP53POLBMAPTTHRB
SCHEMBL7757488 0.75 PPARG (0.53) GMNNTP53POLBMAPTTHRB
SCHEMBL9544528 0.74 PPARA (0.59) PPARASIRT2SIRT1
SCHEMBL8015239 0.74 PPARG (0.47) GMNNTP53POLBMAPTTHRB
SCHEMBL9544551 0.74 PPARA (0.59) PPARASIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251882-B1 TREATING LEUKEMIA, BREAST CANCER, PROSTATE CANCER, OR BRAIN TUMOR PARKER HUGHES INSTITUTE 2001-06-26 US claimed
EP-1091934-A2 ALKYL KETONES AS POTENT ANTI-CANCER AGENTS Parker Hughes Institute (US) 2001-04-18 EP claimed
WO-2000000469-A2 ALKYL KETONES AS POTENT ANTI-CANCER AGENTS PARKER HUGHES INSTITUTE (US) 2000-01-06 WO claimed
US-6251882-B1 TREATING LEUKEMIA, BREAST CANCER, PROSTATE CANCER, OR BRAIN TUMOR PARKER HUGHES INSTITUTE 2001-06-26 US disclosed
EP-1091934-A2 ALKYL KETONES AS POTENT ANTI-CANCER AGENTS Parker Hughes Institute (US) 2001-04-18 EP disclosed
WO-2000000469-A2 ALKYL KETONES AS POTENT ANTI-CANCER AGENTS PARKER HUGHES INSTITUTE (US) 2000-01-06 WO disclosed