SCHEMBL7680129

SCHEMBL7680129

CCOC(=O)[C@@H](NC(=O)[C@@H](C)Nc1ccc(Cl)c(Cl)c1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 3/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 3/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
MCL1 Q07820 1/20 0.40
USP2 O75604 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7680661 1.00 ALDH1A1 (0.46) ALDH1A1THRBKMT2AHPGDMAPT
SCHEMBL7680665 1.00 ALDH1A1 (0.46) ALDH1A1THRBKMT2AHPGDMAPT
SCHEMBL7974081 1.00 ALDH1A1 (0.46) ALDH1A1THRBKMT2AHPGDMAPT
SCHEMBL1821265 0.89 ALDH1A1 (0.46) ALDH1A1THRBKMT2AHPGDMAPT
SCHEMBL7680271 0.89 ALDH1A1 (0.46) ALDH1A1THRBKMT2AHPGDMAPT
SCHEMBL1821268 0.89 ALDH1A1 (0.46) ALDH1A1THRBKMT2AHPGDMAPT
SCHEMBL7680427 0.84 ALDH1A1 (0.45) ALDH1A1THRBKMT2AMAPTCYP3A4
SCHEMBL7680603 0.84 ALDH1A1 (0.45) ALDH1A1THRBKMT2AMAPTCYP3A4
SCHEMBL7680422 0.84 ALDH1A1 (0.45) ALDH1A1THRBKMT2AMAPTCYP3A4
SCHEMBL733757 0.84 ALDH1A1 (0.51) ALDH1A1KMT2AHPGDMAPTCYP3A4

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-6495693-B2 TREATMENT OF ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2002-12-17 US disclosed