SCHEMBL4591641

SCHEMBL4591641

COc1c(C(=O)O)cccc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 5/20 0.43
NOTUM Q6P988 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
NR4A1 P22736 1/20 0.41
PTPN7 P35236 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
ESR2 Q92731 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL28806264 0.92 PTGDR2 (0.44) APEX1KDM4EHSD17B10ALDH1A1MAPK1
SCHEMBL29003855 0.90 HTR2C (0.51) APEX1NOTUM
SCHEMBL16962726 0.83 TDP1 (0.39) NOTUMTDP1MEN1KMT2AGAA
SCHEMBL28353746 0.81 MEN1 (0.51) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL39857 0.80 ALDH1A1 (0.55) APEX1KDM4EHSD17B10ALDH1A1MAPK1
SCHEMBL11675296 0.80 PTGDR2 (0.44) NOTUMKDM4EHSD17B10ALDH1A1MAPK1
SCHEMBL27925249 0.78 TDP1 (0.42) TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL699717 0.78 ALDH1A1 (0.53) APEX1KDM4EHSD17B10ALDH1A1MAPK1
SCHEMBL16958770 0.78 TDP1 (0.36) NOTUMKDM4ETDP1MEN1KMT2A
SCHEMBL4969775 0.77 NOTUM (0.49) NOTUMKDM4EHSD17B10ALDH1A1HPGD

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-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 EP disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed