SCHEMBL27686308

SCHEMBL27686308

CC(C(=O)C(C)c1ccc(OCc2ccc(CCBr)cc2)c(Cl)c1O)c1ccc(OCc2ccc(CCBr)cc2)c(Cl)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.34
HPGD P15428 3/20 0.34
CCR5 P51681 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
INPPL1 O15357 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL27711668 0.90 PDK2 (0.37) PDK2MRGPRX4HPGDCCR5MEN1
SCHEMBL27686251 0.85 APP (0.43) PDK2MRGPRX4HPGDMEN1KMT2A
SCHEMBL27686272 0.77 SMN1; SMN2 (0.39) MRGPRX4HPGDMEN1KMT2AALDH1A1
SCHEMBL27686389 0.77 SLC26A3 (0.47) MRGPRX4FFAR1FFAR4
SCHEMBL27655300 0.71 L3MBTL1 (0.61) RXRARXRBRXRGSMN1; SMN2MAPT
SCHEMBL480927 0.69 MAPT (0.54) MRGPRX4SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL27705295 0.68 MEN1 (0.36) MRGPRX4HPGDCCR5MEN1KMT2A
SCHEMBL27748649 0.67 PTGS2 (0.46) MEN1KMT2ACYP2C9TDP1
SCHEMBL27686304 0.67 MAPK1 (0.35) MEN1KMT2ANPSR1KDM4EMAPT
SCHEMBL27567176 0.66 PTGER1 (0.57) MRGPRX4CYP2C9CYP2C19

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
CN-101955470-B Potentiators of glutamate receptors LILLY CO ELI 2012-06-13 CN disclosed
CN-101061105-B Potentiators of glutamate receptors LILLY CO ELI 2012-05-30 CN disclosed
CN-101955470-A Glutamate receptor potentiators LILLY CO ELI 2011-01-26 CN disclosed
CN-101061106-B Glutamate receptor potentiators LILLY CO ELI 2010-09-29 CN disclosed
CN-101061106-A Glutamate receptor potentiators LILLY CO ELI (US) 2007-10-24 CN disclosed