SCHEMBL7488342

SCHEMBL7488342

CC(COc1ccc(C=CC(=O)O)cc1)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
ATM Q13315 1/20 0.54
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
APP P05067 1/20 0.45
MTOR P42345 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL7488335 1.00 THRB (0.54) THRBATMKDM4EMAPK1POLB
SCHEMBL3692639 0.85 THRB (0.60) THRBATMKDM4EMAPK1POLB
SCHEMBL157926 0.85 THRB (0.60) THRBATMKDM4EMAPK1POLB
SCHEMBL8086431 0.81 THRB (0.55) THRBATMKDM4EMAPK1POLB
SCHEMBL8086432 0.81 THRB (0.55) THRBATMKDM4EMAPK1POLB
SCHEMBL8084861 0.81 THRB (0.55) THRBATMKDM4EMAPK1POLB
SCHEMBL7450494 0.81 HIF1A (0.53) THRBATMKDM4EMAPK1POLB
SCHEMBL7450482 0.81 HIF1A (0.53) THRBATMKDM4EMAPK1POLB
SCHEMBL8081854 0.79 THRB (0.53) THRBATMKDM4EMAPK1POLB
SCHEMBL8072161 0.79 THRB (0.53) THRBATMKDM4EMAPK1POLB

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-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