SCHEMBL6576677

SCHEMBL6576677

CCCCOCC(=O)N(C)c1ccc(C(=O)OCC)cc1C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.43
CYP2C19 P33261 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C9 P11712 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ESR1 P03372 5/20 0.41
TSHR P16473 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 2/20 0.41
NR1H2 P55055 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
SCHEMBL27551068 0.91 ALDH1A1 (0.51) CYP1A2CYP2C19SMN1; SMN2CYP2C9HPGD
SCHEMBL6576540 0.90 KMT2A (0.40) CYP1A2CYP2C19SMN1; SMN2CYP2C9HPGD
SCHEMBL7996804 0.80 CYP1A2 (0.43) CYP1A2CYP2C19SMN1; SMN2CYP2C9NPC1
SCHEMBL6579455 0.80 MEN1 (0.41) SMN1; SMN2HPGDNPC1RAB9ACA12
SCHEMBL6578832 0.80 TSHR (0.47) CYP1A2CYP2C19SMN1; SMN2CYP2C9HPGD
SCHEMBL6581109 0.78 CYP1A2 (0.44) CYP1A2CYP2C19SMN1; SMN2CYP2C9NPC1
SCHEMBL27489931 0.78 NPC1 (0.46) CYP1A2CYP2C19SMN1; SMN2CYP2C9HPGD
SCHEMBL6579842 0.78 MEN1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL123679 0.78 CA12 (0.54) CYP1A2SMN1; SMN2NPC1RAB9ACA12
SCHEMBL6582116 0.78 TSHR (0.50) CYP1A2CYP2C19SMN1; SMN2CYP2C9HPGD

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