SCHEMBL7489142

SCHEMBL7489142

CC(CN(C)C)Oc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
ATM Q13315 1/20 0.54
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
HCAR2 Q8TDS4 2/20 0.44
CA12 O43570 1/20 0.44
AKR1B10 O60218 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ESR1 P03372 1/20 0.44
CA3 P07451 1/20 0.44
PKM P14618 1/20 0.44
TYR P14679 1/20 0.44
AKR1B1 P15121 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
DPP4 P27487 1/20 0.44
CA5A P35218 1/20 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
SCHEMBL7489156 1.00 THRB (0.54) THRBATMKDM4EMAPK1LTB4R
SCHEMBL3687167 0.84 THRB (0.58) THRBATMKDM4EMAPK1LTB4R
SCHEMBL3687164 0.84 THRB (0.58) THRBATMKDM4EMAPK1LTB4R
SCHEMBL8084861 0.81 THRB (0.55) THRBATMKDM4EMAPK1LTB4R
SCHEMBL8072187 0.81 THRB (0.55) THRBATMKDM4EMAPK1LTB4R
SCHEMBL8072186 0.81 THRB (0.55) THRBATMKDM4EMAPK1LTB4R
SCHEMBL7455201 0.81 THRB (0.58) THRBATMKDM4EMAPK1LTB4R
SCHEMBL4537506 0.81 THRB (0.58) THRBATMKDM4EMAPK1LTB4R
SCHEMBL1207346 0.80 THRB (0.66) THRBATMKDM4EMAPK1LTB4R
SCHEMBL1207345 0.80 THRB (0.66) THRBATMKDM4EMAPK1LTB4R

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
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 EP disclosed
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
EP-0912567-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1999-05-06 EP disclosed
WO-1997043287-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1997-11-20 WO disclosed