SCHEMBL16440643

SCHEMBL16440643

O=P(c1ccccc1)(c1ccccc1)c1ccc2oc3ccc(-c4ccc5oc6cnccc6c5c4)cc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.40
PLA2G2A P14555 2/20 0.36
PLA2G4A P47712 2/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
IDO1 P14902 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
TDO2 P48775 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MCL1 Q07820 1/20 0.32
BRAF P15056 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 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
SCHEMBL16440691 0.94 ROCK2 (0.39) ROCK2PLA2G2APLA2G4AKDM4EHPGD
SCHEMBL16440657 0.92 ROCK2 (0.36) ROCK2PLA2G2APLA2G4AKDM4EHPGD
SCHEMBL16440674 0.91 PLA2G2A (0.37) PLA2G2APLA2G4AKDM4EHPGDHSD17B10
SCHEMBL16440797 0.90 PDE3B (0.40) PLA2G2APLA2G4AKDM4EHPGDHSD17B10
SCHEMBL16440740 0.89 ROCK2 (0.38) ROCK2PLA2G2APLA2G4AKDM4EHPGD
SCHEMBL16440809 0.88 PIM1 (0.46) PLA2G2APLA2G4AHSD17B10ALDH1A1MAPT
SCHEMBL20249868 0.88 PIM1 (0.46) PLA2G2APLA2G4AHSD17B10ALDH1A1MAPT
SCHEMBL24470251 0.87 PLA2G2A (0.45) PLA2G2APLA2G4AKDM4EHPGDALDH1A1
SCHEMBL16440646 0.85 PLA2G2A (0.48) PLA2G2APLA2G4AKDM4EHPGDHSD17B10
SCHEMBL16440658 0.85 PLA2G2A (0.48) PLA2G2APLA2G4AKDM4EHPGDHSD17B10

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