SCHEMBL27738751

SCHEMBL27738751

CC(Cc1cc2cc(Br)ccc2[nH]1)OC=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.39
PYGL P06737 2/20 0.38
CYP19A1 P11511 1/20 0.37
IDO1 P14902 6/20 0.37
LOXL2 Q9Y4K0 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
FFAR1 O14842 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
SYK P43405 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
TDO2 P48775 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
SCHEMBL27489310 0.83 KDM4E (0.40) FLT3PYGLIDO1LOXL2TDO2
SCHEMBL27782152 0.82 PYGL (0.35) FLT3PYGLCYP19A1IDO1FFAR1
SCHEMBL27487578 0.81 LOXL2 (0.47) LOXL2HRH4
SCHEMBL27570412 0.75 ALOX15 (0.46) FLT3LOXL2HRH4SMN1; SMN2
SCHEMBL27650372 0.74 CYP19A1 (0.39) FLT3CYP19A1IDO1LOXL2HRH4
SCHEMBL16440998 0.72 CYP19A1 (0.47) FLT3CYP19A1IDO1LOXL2HRH4
SCHEMBL865591 0.71 CYP19A1 (0.50) FLT3CYP19A1IDO1LOXL2HRH4
SCHEMBL22529411 0.71 CYP19A1 (0.46) CYP19A1IDO1LOXL2SMN1; SMN2
SCHEMBL454982 0.70 PYGL (0.43) FLT3PYGLCYP19A1IDO1HRH4
SCHEMBL454981 0.70 PYGL (0.43) FLT3PYGLCYP19A1IDO1HRH4

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
CN-101743232-B Compounds and methods for modulating fxr LILLY CO ELI 2013-03-06 CN disclosed
CN-101421252-B 2, 6-substituted-4-monosubstituted aminopyrimidines as prostaglandin D2 receptor antagonists SANOFI AVENTIS 2011-10-12 CN disclosed
CN-101743232-A Regulate the Compounds and methods for of FXR LILLY CO ELI 2010-06-16 CN disclosed
CN-101421252-A 2, 6-substituted-4-monosubstituted aminopyrimidines as prostaglandin D2 receptor antagonists SANOFI AVENTIS (FR) 2009-04-29 CN disclosed