SCHEMBL7435694

SCHEMBL7435694

COc1ccc2c(c1)OC(C(O)CNC1CCN(CC(=O)Nc3ccc(CC(C)C)cc3)CC1)CO2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
REV1 Q9UBZ9 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 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
SCHEMBL10997098 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL7439756 0.88 POLB (0.45) ALDH1A1SMN1; SMN2MAPK1POLBL3MBTL1
SCHEMBL7428126 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL7446327 0.86 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL7434855 0.84 LMNA (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL7434220 0.82 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL7435692 0.82 LMNA (0.37) LMNA
SCHEMBL7444058 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBL3MBTL1REV1
SCHEMBL7446109 0.81 LMNA (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL7431672 0.81 LMNA (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1

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