SCHEMBL1241929

SCHEMBL1241929

BrC(=Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
AKR1B1 P15121 1/20 0.44
FBP1 P09467 1/20 0.44
AKR1C3 P42330 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
CNR2 P34972 1/20 0.40
TSHR P16473 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL29720911 0.79 CYP3A4 (0.59) CYP3A4CYP2C9CES1CES2AKR1B1
SCHEMBL9709645 0.79 FBP1 (0.45) CYP3A4CYP2C9FBP1AKR1C3ALDH1A1
SCHEMBL4631524 0.79 FBP1 (0.45) CYP3A4CYP2C9FBP1AKR1C3ALDH1A1
SCHEMBL25293191 0.79 FBP1 (0.45) CYP3A4CYP2C9FBP1AKR1C3ALDH1A1
SCHEMBL4631523 0.79 FBP1 (0.45) CYP3A4CYP2C9FBP1AKR1C3ALDH1A1
SCHEMBL25293192 0.79 FBP1 (0.45) CYP3A4CYP2C9FBP1AKR1C3ALDH1A1
SCHEMBL31593396 0.77 FBP1 (0.44) CYP3A4CYP2C9FBP1AKR1C3ALDH1A1
SCHEMBL29054963 0.77 FBP1 (0.44) CYP3A4CYP2C9FBP1AKR1C3ALDH1A1
SCHEMBL4706024 0.77 AKR1C3 (0.48) CYP3A4CYP2C9FBP1AKR1C3ALDH1A1
SCHEMBL14604985 0.77 AKR1C3 (0.48) CYP3A4CYP2C9FBP1AKR1C3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115975116-A Preparation method of colored latex microspheres, colored latex microspheres and application thereof 杭州旭科生物技术有限公司 2023-04-18 CN disclosed
EP-2185639-B1 RUBBER COMPOSITIONS CHEMTURA CORP (US) 2011-03-16 EP disclosed
US-7879934-B2 Rubber compositions CHEMTURA CORPORATION (US) 2011-02-01 US disclosed
EP-2185639-A1 RUBBER COMPOSITIONS Chemtura Corporation (US) 2010-05-19 EP disclosed
US-20090048376-A1 Rubber compositions ADDIVANT USA, LLC 2009-02-19 US disclosed
WO-2009023447-A1 RUBBER COMPOSITIONS CHEMTURA CORPORATION (US) 2009-02-19 WO disclosed