SCHEMBL7447226

SCHEMBL7447226

Cc1ccc(Cl)c(C(C(N)=O)N2CCC(NCC(O)C3COc4ccccc4O3)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LTA4H P09960 7/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7443120 0.87 LMNA (0.41) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL7433758 0.86 NPC1 (0.38) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL10998893 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EGAALMNAMAPT
SCHEMBL7436565 0.85 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL7435447 0.85 LMNA (0.38) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL7435691 0.85 GAA (0.41) ALDH1A1KDM4EGAALMNAMAPT
SCHEMBL7436658 0.83 LMNA (0.39) ALDH1A1KDM4EGAALMNAMAPT
SCHEMBL7435907 0.83 KDM4E (0.40) ALDH1A1KDM4EGAALMNAMAPT
SCHEMBL7439458 0.83 MAPT (0.40) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL7434579 0.83 CA2 (0.35) ALDH1A1GAALMNAMAPTSMN1; SMN2

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed