SCHEMBL7967775

SCHEMBL7967775

CC(C)(C)OC(=O)CNCCOc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.46
PPARA Q07869 6/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.44
TBXAS1 P24557 2/20 0.44

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
SCHEMBL7489693 1.00 LTA4H (0.47) LTA4HHDAC3HDAC4HDAC1HDAC7
SCHEMBL7446249 0.81 POLB (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7446257 0.81 POLB (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7492183 0.80 POLB (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7447845 0.78 THRB (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7447833 0.78 THRB (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11686354 0.76 THRB (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12177872 0.76 KCNH2 (0.55) LTA4HKMT2AMEN1CYP1A2
SCHEMBL24977039 0.75 HDAC8 (0.44) LTA4HHDAC8SMN1; SMN2KMT2APPARA
SCHEMBL3799534 0.74 LTA4H (0.48) LTA4HSMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306870-B1 PHOSPHODIESTERASE ENZYME INHIBITORS, CARDIOVASCULAR DISORDERS AND SEXUAL DISORDERS ICOS CORPORATION 2001-10-23 US disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 US disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 US disclosed