SCHEMBL6424544

SCHEMBL6424544

CN1CCN(c2cc(C(O)C#Cc3ccc(C(=O)Oc4cc(C=CC(O)c5cc(N6CCN(C)CC6)c(OCc6ccccc6)c(C(C)(C)C)c5)ccc4C(=O)O)cc3)cc(C(C)(C)C)c2OCc2ccccc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
PTGER4 P35408 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
NEK2 P51955 1/20 0.30

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
SCHEMBL6419668 0.85 APP (0.35) MEN1KMT2ATLR9TLR7ALDH1A1
SCHEMBL6419665 0.85 APP (0.35) MEN1KMT2ATLR9TLR7ALDH1A1
SCHEMBL1406766 0.83 MAPK1 (0.43) MEN1MAPK1KMT2AHSD17B10TLR9
SCHEMBL1406679 0.82 ALDH1A1 (0.36) MEN1MAPK1KMT2AHSD17B10TLR9
SCHEMBL1406677 0.82 ALDH1A1 (0.36) MEN1MAPK1KMT2AHSD17B10TLR9
SCHEMBL1406642 0.82 MAPK1 (0.41) MEN1MAPK1KMT2AHSD17B10TLR9
SCHEMBL1406474 0.82 MAPK1 (0.41) MEN1MAPK1KMT2AHSD17B10TLR9
SCHEMBL6419213 0.81 APP (0.31)
SCHEMBL1406754 0.81 MAPK1 (0.37) MEN1MAPK1KMT2AHSD17B10TLR9
SCHEMBL6419661 0.80 APP (0.37) MEN1MAPK1KMT2AHSD17B10ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO disclosed