SCHEMBL14972789

SCHEMBL14972789

c1ccc(N(c2ccc(-c3ccccc3N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc4)cc3)cc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
GSTP1 P09211 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ALOX5 P09917 4/20 0.33
PTGES O14684 3/20 0.33
ACMSD Q8TDX5 1/20 0.33
MAPK8 P45983 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
SCHEMBL17811611 0.95 PTGES (0.35) ESR1ESR2GSTP1ALDH1A1CYP1A2
SCHEMBL27520183 0.94 PSMB5 (0.35) GSTP1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL24153959 0.92 ESR2 (0.41) ESR1ESR2GSTP1ALDH1A1CYP1A2
SCHEMBL16385592 0.92 ESR1 (0.44) ESR1ESR2GSTP1ALDH1A1CYP1A2
SCHEMBL16385451 0.91 ESR1 (0.43) ESR1ESR2GSTP1ALDH1A1CYP1A2
SCHEMBL30695831 0.90 ESR1 (0.46) ESR1ESR2GSTP1ALDH1A1CYP1A2
SCHEMBL29133823 0.90 ESR1 (0.46) ESR1ESR2GSTP1ALDH1A1CYP1A2
SCHEMBL21168548 0.90 ESR1 (0.38) ESR1ESR2GSTP1ALDH1A1CYP1A2
SCHEMBL17157260 0.90 GSTP1 (0.46) ESR1ESR2GSTP1ALDH1A1CYP1A2
SCHEMBL17470322 0.90 ESR1 (0.40) ESR1ESR2GSTP1ALDH1A1CYP1A2

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
EP-2178343-B2 TRANSLUCENT SUBSTRATE, METHOD FOR MANUFACTURING THE TRANSLUCENT SUBSTRATE AND ORGANIC LED ELEMENT AGC INC (JP) 2020-04-08 EP disclosed
EP-2178343-B1 TRANSLUCENT SUBSTRATE, METHOD FOR MANUFACTURING THE TRANSLUCENT SUBSTRATE AND ORGANIC LED ELEMENT ASAHI GLASS CO LTD (JP) 2013-05-29 EP disclosed