SCHEMBL4455826

SCHEMBL4455826

CCCCCCCCCCC(O)COc1ccc([I+]c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.50
S1PR1 P21453 1/20 0.48
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
LTA4H P09960 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
CYP2D6 P10635 1/20 0.40
ADRB3 P13945 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGER1 P34995 1/20 0.40

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
SCHEMBL63676 1.00 PLA2G4B (0.50) PLA2G4BS1PR1MAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL31093484 0.99 PLA2G4B (0.49) PLA2G4BS1PR1MAPTHTTSMN1; SMN2
SCHEMBL29396017 0.95 PLA2G4B (0.46) PLA2G4BS1PR1MAPTHTTSMN1; SMN2
SCHEMBL29465911 0.95 PLA2G4B (0.46) PLA2G4BS1PR1MAPTHTTSMN1; SMN2
SCHEMBL225850 0.93 PLA2G4B (0.44) PLA2G4BS1PR1MAPTHTTSMN1; SMN2
SCHEMBL183916 0.92 PLA2G4B (0.46) PLA2G4BS1PR1MAPTHTTSMN1; SMN2
SCHEMBL1056070 0.90 PLA2G4B (0.42) PLA2G4BS1PR1MAPTHTTSMN1; SMN2
SCHEMBL5713078 0.89 S1PR1 (0.48) PLA2G4BS1PR1MAPTSMN1; SMN2NPC1
SCHEMBL30555138 0.89 PLA2G4B (0.41) PLA2G4BS1PR1MAPTHTTSMN1; SMN2
SCHEMBL30555112 0.89 PLA2G4B (0.41) PLA2G4BS1PR1MAPTHTTSMN1; SMN2

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-2137576-B1 DUAL PHOTOINITIATOR, PHOTOCURABLE COMPOSITION, USE THEREOF AND PROCESS FOR PRODUCING A THREE DIMENSIONAL ARTICLE 3D SYSTEMS INCORPORATED (US) 2018-08-29 EP disclosed
EP-2076563-A1 THERMALLY STABLE CATIONIC PHOTOCURABLE COMPOSITIONS Ciba Holding Inc. (CH) 2009-07-08 EP disclosed
WO-2008049743-A1 THERMALLY STABLE CATIONIC PHOTOCURABLE COMPOSITIONS CIBA HOLDING INC. (CH) 2008-05-02 WO disclosed