SCHEMBL6579115

SCHEMBL6579115

CCCCCCCCOCC(=O)N(C)c1cc(OC)ccc1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.42
THRB P10828 5/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
MAOB P27338 2/20 0.40
GAA P10253 2/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
GLA P06280 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TP53 P04637 2/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6579842 0.88 MEN1 (0.45) THRATHRBALDH1A1KDM4ETSHR
SCHEMBL6582006 0.87 CA12 (0.48) ALDH1A1KDM4ETSHRLMNACA12
SCHEMBL6578896 0.86 ALDH1A1 (0.41) THRATHRBALDH1A1KDM4EHPGD
SCHEMBL6579314 0.86 ALDH1A1 (0.44) THRATHRBALDH1A1KDM4ETSHR
SCHEMBL6582373 0.86 ALDH1A1 (0.41) THRATHRBALDH1A1KDM4EHPGD
SCHEMBL6582955 0.86 ALDH1A1 (0.44) THRATHRBALDH1A1KDM4ETSHR
SCHEMBL6579475 0.84 LMNA (0.41) THRATHRBALDH1A1KDM4EHPGD
SCHEMBL6582112 0.84 LMNA (0.41) THRATHRBALDH1A1KDM4EHPGD
SCHEMBL6579935 0.84 LMNA (0.41) THRATHRBALDH1A1KDM4EHPGD
SCHEMBL6579455 0.83 MEN1 (0.41) ALDH1A1KDM4EHPGDTSHRLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161337-C Chinolinelone derivative, its prepn. method and antiabnormal reaction agent ���ձ���ī��ѧ��ҵ��ʽ���� 2004-08-11 CN disclosed
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
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
CN-1221738-A Chinolinelone derivative, its prepn. method and antiabnormal reaction agent DAINIPPON INK & CHEMICALS (JP) 1999-07-07 CN disclosed