SCHEMBL7445848

SCHEMBL7445848

C[S+]([O-])c1ccc(NC(=O)CN2CCC(NCC(O)C3COc4ccccc4O3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
AIMP2 Q13155 1/20 0.38
DRD4 P21917 1/20 0.37

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
SCHEMBL7438128 0.91 POLB (0.42) POLBRAB9ALMNAALDH1A1L3MBTL1
SCHEMBL7447128 0.90 RAB9A (0.52) POLBRAB9ALMNAALDH1A1L3MBTL1
SCHEMBL7443888 0.89 POLB (0.48) POLBRAB9ALMNAALDH1A1NPSR1
SCHEMBL7439415 0.88 POLB (0.49) POLBRAB9ALMNAALDH1A1L3MBTL1
SCHEMBL10994793 0.87 POLB (0.50) POLBRAB9ALMNAALDH1A1L3MBTL1
SCHEMBL7428136 0.87 POLB (0.48) POLBRAB9ALMNAALDH1A1L3MBTL1
SCHEMBL7435917 0.87 POLB (0.48) POLBRAB9ALMNAALDH1A1L3MBTL1
SCHEMBL7434360 0.87 POLB (0.59) POLBRAB9ALMNAALDH1A1L3MBTL1
SCHEMBL7434317 0.87 POLB (0.46) POLBRAB9ALMNAALDH1A1L3MBTL1
SCHEMBL7446327 0.87 SMN1; SMN2 (0.52) POLBRAB9AALDH1A1L3MBTL1MAPT

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