SCHEMBL4258580

SCHEMBL4258580

CC=Cc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
HSD17B10 Q99714 6/20 0.56
ALOX12 P18054 5/20 0.56
TSHR P16473 5/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
ALOX15 P16050 3/20 0.56
MAPK1 P28482 3/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
PTGS2 P35354 1/20 0.56
HTR2B P41595 1/20 0.56
HPGD P15428 3/20 0.52
CYP3A4 P08684 6/20 0.47
LMNA P02545 3/20 0.47
THRB P10828 2/20 0.47
RECQL P46063 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 6/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL4258577 1.00 ALDH1A1 (0.56) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL15138717 0.91 TSHR (0.50) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL15138252 0.90 HDAC2 (0.44) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL3374038 0.86 ALDH1A1 (0.68) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL3372676 0.86 ALDH1A1 (0.68) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL465276 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL465277 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL14255742 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL23975313 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL10042620 0.81 ALDH1A1 (0.60) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1629021-A4 MODIFIED NATURAL RUBBER OR MODIFIED NATURAL RUBBER LATEX, AND RUBBER COMPOSITION AND PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2009-03-25 EP disclosed
EP-1629021-A1 MODIFIED NATURAL RUBBER OR MODIFIED NATURAL RUBBER LATEX, AND RUBBER COMPOSITION AND PNEUMATIC TIRE Bridgestone Corporation (JP) 2006-03-01 EP disclosed
WO-2004106397-A1 MODIFIED NATURAL RUBBER OR MODIFIED NATURAL RUBBER LATEX, AND RUBBER COMPOSITION AND PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2004-12-09 WO disclosed