SCHEMBL29696205

SCHEMBL29696205

CC[C@H](N)C(=O)NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.82
HDAC8 Q9BY41 2/20 0.48
HTT P42858 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 2/20 0.43
NLN Q9BYT8 1/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
MAPT P10636 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
SCHEMBL27212694 1.00 KCNH2 (0.82) KCNH2HDAC8HTTCA1CA2
Hydrochloric Acid SCHEMBL29386333 0.99 KCNH2 (0.83) KCNH2HDAC8HTTCA1CA2
SCHEMBL29696198 0.90 KCNH2 (1.00) KCNH2HDAC8HTTCA1CA2
SCHEMBL27212691 0.90 KCNH2 (1.00) KCNH2HDAC8HTTCA1CA2
Hydrochloric Acid SCHEMBL29385466 0.89 KCNH2 (1.00) KCNH2HDAC8HTTCA1CA2
SCHEMBL29696192 0.88 KCNH2 (0.87) KCNH2HDAC8CA1CA2PLAAT3
SCHEMBL27212681 0.88 KCNH2 (0.87) KCNH2HDAC8CA1CA2PLAAT3
Hydrochloric Acid SCHEMBL29385528 0.87 KCNH2 (0.87) KCNH2HDAC8CA1CA2PLAAT3
SCHEMBL27212697 0.84 KCNH2 (0.66) KCNH2HTTCA1CA2CA7
Hydrochloric Acid SCHEMBL29385946 0.83 KCNH2 (0.67) KCNH2HDAC8HTTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022139564-A1 NOVEL DERIVATIVE COMPOUND HAVING BIPHENYL GROUP INTRODUCED INTO AMINO-ALKANOIC ACID AND ANTI-INFLAMMATORY COMPOSITION COMPRISING SAME (주)앰틱스바이오 2022-06-30 WO disclosed