SCHEMBL7558757

SCHEMBL7558757

C=CCOCc1ccc(O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.43
KDM4E B2RXH2 8/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
NPC1 O15118 4/20 0.40
HTT P42858 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BRD4 O60885 1/20 0.38
MITF O75030 1/20 0.38
HDAC3 O15379 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2B Q92831 1/20 0.36

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
SCHEMBL11673721 0.79 KDM4E (0.65) KDM4EL3MBTL1NPC1HTTRAB9A
SCHEMBL7748871 0.79 IDO1 (0.52) IDO1TSHRCYP3A4
SCHEMBL5611539 0.78 IDO1 (0.42) IDO1KDM4ERAB9AMAPTALDH1A1
SCHEMBL5843777 0.77 IDO1 (0.52) IDO1KDM4EMAPTALDH1A1POLB
SCHEMBL4372667 0.76 NPC1 (0.44) NPC1RAB9ATDP1
SCHEMBL11698533 0.76 CYP3A4 (0.41) IDO1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL16743391 0.75 IDO1 (0.42) IDO1KDM4EL3MBTL1NPC1HTT
SCHEMBL5881107 0.75 CYP3A4 (0.39) KDM4EL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL24609573 0.74 THRB (0.43) IDO1ALDH1A1TP53TSHRHDAC3
SCHEMBL11565269 0.73 GABRA1 (0.40) KDM4EMAPTALDH1A1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907684-B1 CROSS-LINKED SILICONE BASED MATERIAL COMPRISING A BOUND PHOTOINITIATOR, ITS METHOD OF PREPARATION, HYDROPHILIC POLYMERIC PRODUCT OBTAINED FROM THIS MATERIAL AND ITS METHOD OF PREPARATION, AND NOVEL PHOTOINITIATORS ESSILOR INT (FR) 2002-03-27 EP disclosed
US-20010007880-A1 Material based on crosslinked silicone polymer comprising an immobilized photoinitiator, process for the preparation thereof, hydrophilic polymeric product obtained from this material and process for the preparation thereof, and novel photoinitiators ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE 2001-07-12 US disclosed
US-6197842-B1 CONTACT LENSES ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-03-06 US disclosed
EP-0907684-A1 CROSS-LINKED SILICONE BASED MATERIAL COMPRISING A BOUND PHOTOINITIATOR, ITS METHOD OF PREPARATION, HYDROPHILIC POLYMERIC PRODUCT OBTAINED FROM THIS MATERIAL AND ITS METHOD OF PREPARATION, AND NOVEL PHOTOINITIATORS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1999-04-14 EP disclosed
WO-1997049768-A1 CROSS-LINKED SILICONE BASED MATERIAL COMPRISING A BOUND PHOTOINITIATOR, ITS METHOD OF PREPARATION, HYDROPHILIC POLYMERIC PRODUCT OBTAINED FROM THIS MATERIAL AND ITS METHOD OF PREPARATION, AND NOVEL PHOTOINITIATORS ESSILOR INTERNATIONAL - COMPAGNIE GENERALE D'OPTIQUE (FR) 1997-12-31 WO disclosed