SCHEMBL7997667

SCHEMBL7997667

CCCCn1c(=O)c(O)c(OCC=C(C)CCC=C(C)C)c2ccc(NC(C)=O)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
BACE1 P56817 4/20 0.40
CYP3A4 P08684 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP3A5 P20815 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RGS12 O14924 1/20 0.37

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
SCHEMBL7997663 1.00 NPC1 (0.46) NPC1MEN1KMT2ABACE1CYP3A4
SCHEMBL8001378 0.93 NPC1 (0.46) NPC1MEN1KMT2ABACE1CYP3A4
SCHEMBL8001382 0.93 NPC1 (0.46) NPC1MEN1KMT2ABACE1CYP3A4
SCHEMBL7997912 0.93 NPC1 (0.48) NPC1MEN1KMT2ABACE1CYP3A4
SCHEMBL7997906 0.93 NPC1 (0.48) NPC1MEN1KMT2ABACE1CYP3A4
SCHEMBL7997668 0.92 NPC1 (0.47) NPC1MEN1KMT2ABACE1CYP3A4
SCHEMBL7997672 0.92 NPC1 (0.47) NPC1MEN1KMT2ABACE1CYP3A4
SCHEMBL8004493 0.92 NPC1 (0.52) NPC1MEN1KMT2ATDP1KDM4E
SCHEMBL8000659 0.91 NPC1 (0.46) NPC1MEN1KMT2ABACE1CYP3A4
SCHEMBL8000655 0.91 NPC1 (0.46) NPC1MEN1KMT2ABACE1CYP3A4

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