SCHEMBL6576624

SCHEMBL6576624

CCOC(=O)c1cc(NC(C)=O)ccc1N(C)C(=O)COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAPK10 P53779 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 4/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 4/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL6579566 0.92 TSHR (0.50) TSHRMAPK10SMN1; SMN2RAB9ANPC1
SCHEMBL7980736 0.86 RAB9A (0.47) TSHRMAPK10SMN1; SMN2RAB9ANPC1
SCHEMBL6579573 0.82 TSHR (0.48) TSHRMAPK10SMN1; SMN2RAB9ANPC1
SCHEMBL6581134 0.82 MAPT (0.49) SMN1; SMN2RAB9ANPC1POLBMAPT
SCHEMBL6581483 0.82 TDP1 (0.46) TSHRMAPK10SMN1; SMN2RAB9ANPC1
SCHEMBL6579783 0.76 TSHR (0.48) TSHRMAPK10SMN1; SMN2RAB9ANPC1
SCHEMBL6581961 0.75 LMNA (0.44) TSHRMAPK10SMN1; SMN2MAPTHPGD
Ethyl Benzoate SCHEMBL27551058 0.74 MAPT (0.40) SMN1; SMN2RAB9ANPC1POLBMAPT
SCHEMBL6576914 0.74 TDP1 (0.44) TSHRSMN1; SMN2NPC1POLBMAPT
SCHEMBL6578873 0.72 SMN1; SMN2 (0.49) TSHRMAPK10SMN1; SMN2POLBMAPT

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