SCHEMBL6579965

SCHEMBL6579965

CCCCCCCCN(C(=O)COc1ccccc1)c1ccc(-c2ccccc2)cc1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 1/20 0.43
MAPK10 P53779 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 2/20 0.41
LTB4R2 Q9NPC1 2/20 0.40
ESR1 P03372 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PTPN11 Q06124 2/20 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
SCHEMBL6577021 0.84 PLA2G4B (0.39) NPC1RAB9ATSHRMAPK10ALDH1A1
SCHEMBL6579800 0.78 TSHR (0.44) NPC1RAB9ATSHRMAPK10ALDH1A1
SCHEMBL6579467 0.74 SMN1; SMN2 (0.45) TSHRMAPK10ALDH1A1TP53CYP1A2
SCHEMBL15903502 0.74 TSHR (0.51) NPC1RAB9ATSHRALDH1A1L3MBTL1
SCHEMBL6578894 0.71 SMN1; SMN2 (0.45) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL14252251 0.70 TSHR (0.65) NPC1RAB9ATSHRALDH1A1TP53
SCHEMBL6579151 0.69 SMN1; SMN2 (0.43) ALDH1A1TP53L3MBTL1TDP1ESR1
SCHEMBL6579573 0.69 TSHR (0.48) NPC1RAB9ATSHRMAPK10ALDH1A1
SCHEMBL6579134 0.69 CYP1A2 (0.41) NPC1RAB9AMAPK10ALDH1A1TP53
SCHEMBL6581436 0.69 LMNA (0.44) NPC1RAB9ATSHRMAPK10ALDH1A1

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