SCHEMBL819003

SCHEMBL819003

C=CC(=O)CC(COC(=O)C=C)COc1ccc(C(c2ccc(OCC(O)COC(=O)C=C)cc2)C(c2ccc(OCC(O)COC(=O)C=C)cc2)c2ccc(OCC(O)COC(=O)C=C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PLA2G4B P0C869 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
SCHEMBL21078399 0.93 CYP1A2 (0.35) CYP1A2POLBMAPTLMNANPSR1
SCHEMBL819190 0.89 CYP1A2 (0.48) CYP1A2POLBMAPTLMNANPSR1
SCHEMBL819264 0.84 CYP1A2 (0.44) CYP1A2POLBMAPTLMNANPSR1
SCHEMBL13144350 0.84 CYP1A2 (0.44) CYP1A2POLBMAPTLMNANPSR1
SCHEMBL16488567 0.84 CYP1A2 (0.44) CYP1A2POLBMAPTLMNANPSR1
SCHEMBL819519 0.81 CYP1A2 (0.48) CYP1A2POLBMAPTLMNANPSR1
SCHEMBL19860744 0.81 MAPT (0.43) CYP1A2POLBMAPTLMNANPSR1
SCHEMBL819499 0.81 CYP1A2 (0.41) CYP1A2POLBMAPTLMNANPSR1
SCHEMBL13079613 0.81 CYP1A2 (0.41) CYP1A2POLBMAPTLMNANPSR1
SCHEMBL13205122 0.79 CYP1A2 (0.49) CYP1A2POLBMAPTLMNANPSR1

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-20110052868-A1 LAMINATE FILM AND COMPOSITE FILM FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
US-20110052868-A1 LAMINATE FILM AND COMPOSITE FILM FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed