SCHEMBL4536585

SCHEMBL4536585

CC(C)Oc1ccc(C#CCCCCCCC(=O)O)cc1C(=O)NC(CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
POLB P06746 3/20 0.39
KDM4E B2RXH2 2/20 0.39
APAF1 O14727 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ITGB2 P05107 4/20 0.38
ICAM1 P05362 4/20 0.38
ITGAL P20701 4/20 0.38
HCRTR1 O43613 1/20 0.38
MMP1 P03956 1/20 0.38
PPARG P37231 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38

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
SCHEMBL3944103 1.00 MAPT (0.39) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL3945354 0.92 MEN1 (0.40) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL3943362 0.92 MEN1 (0.41) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL3936356 0.90 KMT2A (0.41) MAPTKDM4EHPGDSMN1; SMN2MEN1
SCHEMBL13912874 0.90 ECE1 (0.40) MAPTKDM4EHPGDSMN1; SMN2MEN1
SCHEMBL3943652 0.90 CTSL (0.41) MAPTPOLBKDM4EHPGDSMN1; SMN2
SCHEMBL3941151 0.90 MEN1 (0.42) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL3939353 0.90 MEN1 (0.42) MAPTPOLBKDM4EL3MBTL1HPGD
SCHEMBL3943481 0.88 MEN1 (0.43) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL3945226 0.88 MMP9 (0.40) MAPTPOLBKDM4EHPGDSMN1; SMN2

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-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP disclosed