SCHEMBL8020901

SCHEMBL8020901

Cc1cccc(C)c1N(C)C(=O)COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)Nc2cccc(CC(=O)O)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
PDE5A O76074 1/20 0.36
MAPK1 P28482 2/20 0.36
PPIB P23284 1/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
HPSE Q9Y251 1/20 0.36
MLYCD O95822 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
NTSR1 P30989 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NOD2 Q9HC29 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8029983 0.94 SMN1; SMN2 (0.36) SMN1; SMN2ITGB1ITGA4MAPK1PPIB
SCHEMBL8020736 0.94 ITGB1 (0.36) SMN1; SMN2ITGB1ITGA4PDE5AMAPK1
SCHEMBL8030646 0.93 KMT2A (0.36) SMN1; SMN2ITGB1ITGA4PDE5AMAPK1
SCHEMBL8031868 0.92 PPIB (0.38) SMN1; SMN2PDE5AMAPK1PPIBHTT
SCHEMBL8031875 0.92 MAPK1 (0.40) SMN1; SMN2PDE5AMAPK1HTTKMT2A
SCHEMBL8020628 0.91 KMT2A (0.42) SMN1; SMN2HTTNPC1KMT2AMEN1
SCHEMBL8020758 0.90 KMT2A (0.37) SMN1; SMN2PDE5AMAPK1PPIBHTT
SCHEMBL8020574 0.90 PTGDR2 (0.38) SMN1; SMN2PDE5AMAPK1PPIBHTT
SCHEMBL8020648 0.90 KDM4E (0.38) SMN1; SMN2PDE5AMAPK1PPIBHTT
SCHEMBL8020823 0.89 SMN1; SMN2 (0.40) SMN1; SMN2PDE5AMAPK1PPIBHTT

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
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed