SCHEMBL4069378

SCHEMBL4069378

C=Cc1ccc(C2CCCCC2)cc1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
HRH3 Q9Y5N1 1/20 0.40
ACMSD Q8TDX5 2/20 0.39
EPHX2 P34913 1/20 0.37
KMO O15229 1/20 0.37
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
PSMB5 P28074 2/20 0.34
ESR2 Q92731 1/20 0.33
HTR1D P28221 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDK2 Q15119 1/20 0.33
TRIM58 Q8NG06 1/20 0.33
CYP2D6 P10635 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
SCHEMBL20211626 0.82 HDAC3 (0.38) BACE1HRH3HSP90AA1HDAC2PSMB5
SCHEMBL4069128 0.82 BACE1 (0.32) BACE1ESR2
SCHEMBL28225239 0.81 MAPT (0.44) BACE1HSP90AA1GAAMAPTKMT2A
SCHEMBL23584310 0.79 PTGDR2 (0.42) KMT2ACYP11B2SLC6A2SLC6A4SLC6A3
SCHEMBL779608 0.77 KMO (0.47) BACE1ACMSDEPHX2KMOHSP90AA1
SCHEMBL16954513 0.76 ESR2 (0.39) BACE1KMOHDAC4HDAC2HDAC8
SCHEMBL164339 0.76 PTGDR2 (0.39) HTR1DCYP11B2CYP2D6SLC6A2SLC6A4
SCHEMBL19750760 0.75 F2RL1 (0.42) KMT2ACYP11B2SLC6A2SLC6A4SLC6A3
SCHEMBL778496 0.74 HDAC8 (0.46) BACE1ACMSDEPHX2KMOHSP90AA1
SCHEMBL28024270 0.73 ACMSD (0.43) BACE1ACMSDEPHX2KMOHSP90AA1

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
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
CN-101443371-B Block copolymers NIPPON SODA CO 2011-09-07 CN disclosed
US-20090253867-A1 BLOCK COPOLYMERS NIPPON SODA CO., LTD. (JP) 2009-10-08 US disclosed
CN-101443371-A Block copolymers NIPPON SODA CO (JP) 2009-05-27 CN disclosed
EP-2019120-A1 BLOCK COPOLYMERS Nippon Soda Co., Ltd. (JP) 2009-01-28 EP disclosed