SCHEMBL6581237

SCHEMBL6581237

C=CCCCCNc1ccc(C(=O)OCC)c(N(CCCC)C(=O)COc2ccc(OC)cc2)c1.C=CCCCCNc1ccc(C(=O)OCC)c(N(CCCC)C(=O)COc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 5/20 0.37
MAPT P10636 5/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 4/20 0.37
TDP1 Q9NUW8 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 4/20 0.37
TP53 P04637 3/20 0.36
TSHR P16473 1/20 0.36
MAPK10 P53779 1/20 0.36
SIRT5 Q9NXA8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7985121 0.97 CNR1 (0.36) USP2HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL7998601 0.96 TSHR (0.39) USP2HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL6581222 0.84 LMNA (0.36) ALDH1A1KDM4ELMNATDP1SMN1; SMN2
SCHEMBL6579279 0.80 LMNA (0.35) ALDH1A1KDM4ELMNATDP1SMN1; SMN2
SCHEMBL6577376 0.80 LMNA (0.33) ALDH1A1MAPTKDM4ELMNATDP1
SCHEMBL6581167 0.79 LMNA (0.35) HSD17B10ALDH1A1MAPTKDM4ELMNA
SCHEMBL6579046 0.79 LMNA (0.35) HSD17B10ALDH1A1MAPTKDM4ELMNA
SCHEMBL6581930 0.78 MAPT (0.39) ALDH1A1MAPTKDM4ELMNATDP1
SCHEMBL6581961 0.77 LMNA (0.44) HSD17B10ALDH1A1MAPTKDM4ELMNA
SCHEMBL6582259 0.77 TRPV1 (0.35)

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
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed