SCHEMBL7989467

SCHEMBL7989467

CCCCCCOc1c(OCC(C)CCC)c(=O)[nH]c2cc(NCC)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.38
GPR17 Q13304 1/20 0.35
UNG P13051 3/20 0.34
SERPINE1 P05121 2/20 0.34
ELANE P08246 1/20 0.32
HTR1B P28222 5/20 0.31
HTR1A P08908 4/20 0.31
HTR1D P28221 4/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HTR2A P28223 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7988791 0.96 AR (0.39) ARGPR17UNGSERPINE1ELANE
SCHEMBL8001562 0.90 AR (0.45) ARGPR17UNGSERPINE1KDM4E
SCHEMBL7997203 0.90 AR (0.45) ARGPR17UNGSERPINE1KDM4E
SCHEMBL7998801 0.89 AR (0.44) ARGPR17UNGSERPINE1HTR1B
SCHEMBL8001153 0.89 AR (0.44) ARGPR17UNGSERPINE1HTR1B
SCHEMBL7988485 0.89 AR (0.44) ARGPR17UNGSERPINE1HTR1B
SCHEMBL7988221 0.88 AR (0.41) ARELANEKDM4ETP53MAPT
SCHEMBL8004560 0.85 AR (0.47) ARGPR17UNGSERPINE1KDM4E
SCHEMBL7988426 0.85 PARP1 (0.38) GPR17HTR1BHTR1AHTR1DCNR2
SCHEMBL7998822 0.84 AR (0.43) ARGPR17UNGSERPINE1CNR2

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
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed