SCHEMBL17010782

SCHEMBL17010782

Oc1ccc(C2(c3ccc(Oc4ccc(-c5ccc(Oc6ccc(C7(c8ccc(Oc9ccc(-c%10ccc(Br)cc%10)cc9)cc8)c8ccccc8-c8ccccc87)cc6)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
OPRK1 P41145 1/20 0.41
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
PDK2 Q15119 2/20 0.39
SLC6A3 Q01959 1/20 0.38
MCL1 Q07820 2/20 0.37
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CHRM2 P08172 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL20976008 0.90 LTA4H (0.50) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL5177935 0.88 MAPT (0.52) LTA4HMEN1KMT2AMAPTLMNA
SCHEMBL22651766 0.88 LTA4H (0.53) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL16902923 0.88 LTA4H (0.53) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL3629040 0.88 LTA4H (0.53) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL19054877 0.86 ESR2 (0.46) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL21793205 0.85 LTA4H (0.46) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL20960622 0.85 LTA4H (0.60) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL25230386 0.83 MEN1 (0.57) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL12938480 0.83 MEN1 (0.57) MEN1KMT2AMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9109080-B2 Cross-linked organic polymer compositions and methods for controlling cross-linking reaction rate and of modifying same to enhance processability Delsper LP (US) 2015-08-18 US disclosed