SCHEMBL8578692

SCHEMBL8578692

CC(C)CC(=O)NCCC(Cn1cc(Cc2cccnc2)c2ccccc21)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
TSHR P16473 3/20 0.43
EPHX2 P34913 1/20 0.42
HTR2C P28335 1/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TBXAS1 P24557 2/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC3 O15379 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX12 P18054 1/20 0.38
SHMT2 P34897 1/20 0.38

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
SCHEMBL8584112 0.86 EPHX2 (0.41) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL8585297 0.84 HDAC1 (0.44) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL8581846 0.82 NR1D1 (0.51) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL8583157 0.78 TBXAS1 (0.56) KDM4ETBXAS1KMT2A
SCHEMBL8541916 0.77 TBXAS1 (0.55) L3MBTL1TBXAS1
SCHEMBL8544227 0.74 TBXAS1 (0.46) L3MBTL1ALDH1A1KDM4ELMNAHTT
SCHEMBL8543141 0.74 TBXAS1 (0.46) ALDH1A1KDM4ELMNAHTTTSHR
SCHEMBL8541450 0.71 TRPM5 (0.41) L3MBTL1ALDH1A1KDM4ELMNAHTT
SCHEMBL8578689 0.71 HPGD (0.44) L3MBTL1ALDH1A1KDM4ELMNAHTT
SCHEMBL13774769 0.69 KMT2A (0.56) L3MBTL1ALDH1A1LMNAHTTEPHX2

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
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US claimed