SCHEMBL5282028

SCHEMBL5282028

CC=C(Cc1ccccc1)C(=O)OOC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
AKR1B1 P15121 1/20 0.44
TSHR P16473 1/20 0.42
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
PAM P19021 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 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
SCHEMBL7741684 0.86 CYP3A4 (0.49) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL5283363 0.82 CYP3A4 (0.49) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL28125867 0.79 SMN1; SMN2 (0.46) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL265270 0.79 MEN1 (0.53) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL8168086 0.78 CYP3A4 (0.45) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL8168085 0.78 CYP3A4 (0.45) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL367454 0.77 CYP3A4 (0.66) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL7923429 0.77 CYP3A4 (0.66) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL265774 0.77 CYP3A4 (0.66) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL4623853 0.77 CES2 (0.45) CES1CES2AKR1B1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1281516-B1 Planographic printing plate precursor FUJIFILM CORP (JP) 2007-12-19 EP disclosed
US-6951171-B2 Using graft polymer on etched or anodized aluminum substrate FUJI PHOTO FILM CO., LTD. (JP) 2005-10-04 US disclosed
US-20030129520-A1 Using graft polymer on etched or anodized aluminum substrate FUJIFILM CORPORATION (JP) 2003-07-10 US disclosed
EP-1281516-A2 Planographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2003-02-05 EP disclosed