SCHEMBL7980772

SCHEMBL7980772

CCCCOc1c(O)c2cc(C(=O)Oc3ccccc3)ccc2n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 3/20 0.39
NSD2 O96028 1/20 0.39
XBP1 P17861 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL27523575 0.86 CNR2 (0.49) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL7974921 0.85 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7974954 0.83 TP53 (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL7976004 0.82 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL7976006 0.82 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL7964550 0.79 TP53 (0.44) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6579485 0.78 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL27387414 0.74 ALDH1A1 (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL7974952 0.74 RORA (0.49) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL7974971 0.73 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10GAA

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