SCHEMBL2807198

SCHEMBL2807198

C=CCn1c(C=C)ccc1C=C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
SLC5A2 P31639 1/20 0.35
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL20861812 0.70 CYP3A4 (0.46) CYP3A4ALDH1A1HPGDKDM4EHTT
SCHEMBL8525913 0.70 CYP3A4 (0.46) CYP3A4ALDH1A1HPGDKDM4EHTT
SCHEMBL2813908 0.69 NPC1 (0.38) ALDH1A1HTTCYP1A2L3MBTL1LMNA
SCHEMBL21868858 0.68 CYP3A4 (0.38) CYP3A4ALDH1A1HPGDKDM4EHTT
Bromide SCHEMBL12482879 0.67 NPC1 (0.37) ALDH1A1HTTCYP1A2L3MBTL1LMNA
SCHEMBL8080072 0.67 CYP3A4 (0.38) CYP3A4ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL146503 0.65 CYP1A2 (0.56) CYP3A4ALDH1A1HPGDKDM4EHTT
SCHEMBL10282695 0.65 CYP3A4 (0.52) CYP3A4ALDH1A1HPGDKDM4EHTT
SCHEMBL28662 0.65 CYP3A4 (1.00) CYP3A4ALDH1A1HPGDKDM4EGAA
SCHEMBL8158727 0.65 MAPT (0.40) CYP3A4ALDH1A1KDM4EHTTPKM

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-2495268-B1 Compositions and articles DOW GLOBAL TECHNOLOGIES LLC (US) 2015-07-01 EP disclosed
US-9000099-B2 Functionalized polymers, articles prepared therefrom, and methods for making the same DOW GLOBAL TECHNOLOGIES LLC (US) 2015-04-07 US disclosed
EP-2170970-B1 FUNCTIONALIZED POLYMERS AND ARTICLES PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES LLC (US) 2014-09-03 EP disclosed
EP-2495268-A1 Compositions and articles Dow Global Technologies LLC (US) 2012-09-05 EP disclosed
US-20100168343-A1 FUNCTIONALIZED POLYMERS, ARTICLES PREPARED THEREFROM, AND METHODS FOR MAKING THE SAME DOW GLOBAL TECHNOLOGIES LLC 2010-07-01 US disclosed