SCHEMBL6552234

SCHEMBL6552234

O=C1C(Br)=CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.56
MAOA P21397 4/20 0.50
BCHE P06276 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTPRC P08575 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
S100A4 P26447 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CES2 O00748 1/20 0.42
APAF1 O14727 1/20 0.42
TERT O14746 1/20 0.42
NPC1 O15118 1/20 0.42
PLIN1 O60240 1/20 0.42
TDP2 O95551 1/20 0.42
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7960264 0.84 HTR6 (0.41) CES1MAOABCHETDP1L3MBTL1
SCHEMBL2566227 0.75 CES1 (0.50) CES1MAOABCHEMEN1KMT2A
SCHEMBL9321655 0.75 MAOA (0.50) CES1MAOABCHETDP1L3MBTL1
SCHEMBL14054414 0.75 MAOA (0.50) CES1MAOABCHETDP1L3MBTL1
SCHEMBL396140 0.75 MAOA (0.50) CES1MAOABCHETDP1L3MBTL1
SCHEMBL4622228 0.75 CES1 (0.50) CES1MAOABCHETDP1L3MBTL1
SCHEMBL8894628 0.73 MAOB (0.46) MAOAALDH1A1MAOB
SCHEMBL10590259 0.73 MAOA (0.48) CES1MAOABCHETDP1L3MBTL1
SCHEMBL20123121 0.73 MAOA (0.40) CES1MAOABCHETDP1L3MBTL1
SCHEMBL2319027 0.72 MAOA (0.90) CES1MAOABCHEPTPRCMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116390687-A Devices, methods and kits for microfluidic assays 伯克利之光生命科技公司 2023-07-04 CN disclosed
EP-1388534-A2 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors Allergan, Inc. (US) 2004-02-11 EP disclosed
US-6403638-B1 COMPOUND FOR USE IN TREATING SKIN DISEASES AND DISORDERS, AND FOR TREATING HYPERVITAMINOSIS A SYNDROME ALLERGAN SALES, INC. 2002-06-11 US disclosed
WO-2001070662-A2 2,4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN , INC. (US) 2001-09-27 WO disclosed
EP-1117628-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS Allergan Sales, Inc. (US) 2001-07-25 EP disclosed
US-6147224-A 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors ALLERGAN SALES, INC. (US) 2000-11-14 US disclosed
WO-2000020370-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN SALES, INC. (US) 2000-04-13 WO disclosed
EP-0876330-A1 ARYL OR HETEROARYL AMIDES OF TETRAHYDRONAPHTHALENE, CHROMAN, THIOCHROMAN AND 1,2,3,4-TETRAHYDROQUINOLINE CARBOXYLIC ACIDS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1998-11-11 EP disclosed
WO-1997019052-A1 ARYL OR HETEROARYL AMIDES OF TETRAHYDRONAPHTHALENE, CHROMAN, THIOCHROMAN AND 1,2,3,4-TETRAHYDROQUINOLINE CARBOXYLIC ACIDS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1997-05-29 WO disclosed