SCHEMBL7445143

SCHEMBL7445143

CCCCSc1ccc(NC(=O)CN2CCC(NCC(O)C3COc4ccccc4O3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
AIMP2 Q13155 1/20 0.36

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
SCHEMBL7440717 0.92 POLB (0.45) POLBRAB9ALMNAMEN1KMT2A
SCHEMBL7434317 0.89 POLB (0.46) POLBRAB9ALMNAMEN1KMT2A
SCHEMBL7440389 0.88 MEN1 (0.47) POLBRAB9ALMNAMEN1KMT2A
SCHEMBL7447128 0.87 RAB9A (0.52) POLBRAB9ALMNAMEN1KMT2A
SCHEMBL7443888 0.86 POLB (0.48) POLBRAB9ALMNAALDH1A1MAPT
SCHEMBL7439415 0.85 POLB (0.49) POLBRAB9ALMNAALDH1A1L3MBTL1
SCHEMBL7434360 0.84 POLB (0.59) POLBRAB9ALMNAKMT2AALDH1A1
SCHEMBL7428136 0.84 POLB (0.48) POLBRAB9ALMNAMEN1KMT2A
SCHEMBL7435917 0.84 POLB (0.48) POLBRAB9ALMNAALDH1A1L3MBTL1
SCHEMBL7436406 0.84 ALDH1A1 (0.41) RAB9ALMNAMEN1KMT2AALDH1A1

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