SCHEMBL16440740

SCHEMBL16440740

O=P(c1ccccc1)(c1ccccc1)c1cncc(-c2ccc3oc4ccc(-c5ccc6oc7cnccc7c6c5)cc4c3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.38
PLA2G2A P14555 2/20 0.34
PLA2G4A P47712 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 1/20 0.33
PGR P06401 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32

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
SCHEMBL16440707 0.92 PLA2G2A (0.35) PLA2G2APLA2G4AKDM4EALDH1A1HPGD
SCHEMBL16440691 0.91 ROCK2 (0.39) ROCK2PLA2G2APLA2G4AKDM4EALDH1A1
SCHEMBL16440769 0.90 PLA2G2A (0.42) PLA2G2APLA2G4AKDM4EALDH1A1HPGD
SCHEMBL16440775 0.90 PLA2G2A (0.42) PLA2G2APLA2G4AKDM4EALDH1A1HPGD
SCHEMBL16440715 0.89 PIM1 (0.44) ALDH1A1HSD17B10PIM1PIM2MAPT
SCHEMBL16440643 0.89 ROCK2 (0.40) ROCK2PLA2G2APLA2G4AKDM4EALDH1A1
SCHEMBL16440728 0.87 MMP12 (0.40) PLA2G2APLA2G4AKDM4EALDH1A1HPGD
SCHEMBL16440737 0.85 PIK3CD (0.31) PLA2G2APLA2G4APIM1PIM2PIK3CD
SCHEMBL16440724 0.83 PLA2G2A (0.34) PLA2G2APLA2G4AKDM4EALDH1A1HPGD
SCHEMBL16440780 0.83 PLA2G2A (0.37) PLA2G2APLA2G4AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150034927-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-02-05 US disclosed
US-20150034927-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-02-05 US disclosed