SCHEMBL13233306

SCHEMBL13233306

O=C(O)C1C2=C(CCCC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
EDNRA P25101 2/20 0.39
EDNRB P24530 1/20 0.39
ADRA2C P18825 1/20 0.37
PTGS2 P35354 1/20 0.37
HRH1 P35367 1/20 0.37
HTR3A P46098 1/20 0.37
PDE4D Q08499 1/20 0.37
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL9250186 0.77 ALDH1A1 (0.39) ADRA2CPTGS2HRH1HTR3APDE4D
Benzene SCHEMBL28538497 0.75 HDAC3 (0.59) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL40500 0.75 HDAC3 (0.59) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL30001332 0.75 HDAC3 (0.59) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL2232629 0.74 ADRA2C (0.37) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL2231743 0.74 ADRA2C (0.59) ADRA2CPTGS2HRH1HTR3APDE4D
Hydrochloric Acid SCHEMBL7052205 0.73 HDAC3 (0.57) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL2231523 0.73 ADRA2C (0.40) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL22879574 0.73 ADRA2C (0.40) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL6251581 0.73 ADRA2C (0.36) ADRA2CPTGS2HRH1HTR3APDE4D

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
US-7763691-B2 Norbornene monomers with fluorene group and polymer material thereof NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2010-07-27 US disclosed
US-7763691-B2 Norbornene monomers with fluorene group and polymer material thereof NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2010-07-27 US disclosed
US-20090023877-A1 Norbornene monomers with fluorene group and polymer material thereof NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY 2009-01-22 US disclosed
US-20090023877-A1 Norbornene monomers with fluorene group and polymer material thereof NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY 2009-01-22 US disclosed