SCHEMBL7757490

SCHEMBL7757490

CCCCCCCCCCCCSCC(NC(=O)OCc1ccccc1)C(=O)O.O=C(CCl)CCl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 10/20 0.55
SIRT1 Q96EB6 6/20 0.55
PPARA Q07869 3/20 0.54
PPARG P37231 1/20 0.53
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
NCOR2 Q9Y618 2/20 0.52
SIRT3 Q9NTG7 4/20 0.49
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48

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
SCHEMBL9544551 0.94 PPARA (0.59) SIRT2SIRT1PPARAPPARGHDAC3
SCHEMBL9544644 0.94 PPARA (0.59) SIRT2SIRT1PPARAPPARGHDAC3
SCHEMBL9544528 0.94 PPARA (0.59) SIRT2SIRT1PPARAPPARGHDAC3
SCHEMBL7757498 0.92 PPARA (0.56) SIRT2SIRT1PPARAPPARGHDAC3
SCHEMBL7757493 0.91 PPARA (0.53) SIRT2SIRT1PPARAPPARGHDAC3
SCHEMBL9544195 0.89 PPARA (0.61) SIRT2SIRT1PPARAPPARGHDAC3
SCHEMBL7762822 0.84 GMNN (0.39) SIRT2SIRT1
SCHEMBL7757470 0.82 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7708741 0.82 PPARA (0.53) SIRT2SIRT1PPARAPPARGHDAC3
SCHEMBL5507111 0.82 PPARA (0.53) SIRT2SIRT1PPARAPPARGHDAC3

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