SCHEMBL7980686

SCHEMBL7980686

CCCCCCCCCCOC(=O)c1cccc2c1c(O)c(OCCCC)c(=O)n2C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TSHR P16473 4/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 2/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.46
KDM4A O75164 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
TRPA1 O75762 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6582186 0.91 ALDH1A1 (0.47) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6576831 0.88 ALDH1A1 (0.46) ALDH1A1TSHRLMNAKDM4EHSD17B10
SCHEMBL27473235 0.87 ALDH1A1 (0.55) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6579485 0.84 KDM4E (0.42) ALDH1A1TSHRLMNATP53KDM4E
SCHEMBL6580954 0.83 ALDH1A1 (0.38) ALDH1A1TSHRLMNAMAPK1KDM4E
SCHEMBL6580951 0.83 ALDH1A1 (0.38) ALDH1A1TSHRLMNAMAPK1KDM4E
SCHEMBL7976008 0.81 KDM4E (0.45) ALDH1A1TSHRMAPK1KDM4EHSD17B10
SCHEMBL7999095 0.77 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL7978073 0.76 KDM4E (0.44) ALDH1A1LMNACYP3A4KDM4EHSD17B10
SCHEMBL6576752 0.75 KDM4E (0.47) ALDH1A1TSHRLMNACYP3A4MAPK1

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
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 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