SCHEMBL4070792

SCHEMBL4070792

C=Cc1cccc(-c2ccccc2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HNF4A P41235 1/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
BCL2L1 Q07817 1/20 0.34
CYP2A6 P11509 1/20 0.34
MAPK1 P28482 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TSHR P16473 1/20 0.33
METAP2 P50579 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
SCHEMBL31577216 1.00 ALDH1A1 (0.38) ALDH1A1HNF4AGRIN2DGRIN3BGRIN1
SCHEMBL4067689 0.92 ALDH1A1 (0.40) ALDH1A1HNF4AGRIN2DGRIN3BGRIN1
SCHEMBL9613858 0.90 ALDH1A1 (0.39) ALDH1A1HNF4AGRIN2DGRIN3BGRIN1
Ammonia Solution, Strong SCHEMBL27824730 0.90 ALDH1A1 (0.39) ALDH1A1HNF4AGRIN2DGRIN3BGRIN1
SCHEMBL4066882 0.87 FLT3 (0.34) ALDH1A1HNF4AGRIN2DGRIN3BGRIN1
SCHEMBL8164163 0.86 ALDH1A1 (0.39) ALDH1A1HNF4AGRIN2DGRIN3BGRIN1
SCHEMBL29058626 0.85 ALDH1A1 (0.38) ALDH1A1HNF4AGRIN2DGRIN3BGRIN1
SCHEMBL4201594 0.84 ALDH1A1 (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27675760 0.83 ALDH1A1 (0.46) ALDH1A1MAPK1TSHRATRDRD2
SCHEMBL1240771 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPK1TSHRDRD2

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
EP-2019120-B1 BLOCK COPOLYMERS NIPPON SODA CO (JP) 2016-04-13 EP disclosed
US-8193285-B2 Block copolymers NIPPON SODA CO., LTD. (JP) 2012-06-05 US disclosed
US-20090253867-A1 BLOCK COPOLYMERS NIPPON SODA CO., LTD. (JP) 2009-10-08 US disclosed
EP-2019120-A1 BLOCK COPOLYMERS Nippon Soda Co., Ltd. (JP) 2009-01-28 EP disclosed